N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidin-4-amine

Update Time: 2025-04-25 16:33:36

	Common Name	N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidin-4-amine	English Name	N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidin-4-amine
	CAS NO.	N/A	Molecular Weight	511.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₇H₂₈F₃N₅O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	N-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropoxymethyl)-7-[3-(trifluoromethyl)pyridin-2-yl]pyrido[2,3-d]pyrimidin-4-amine

Molecular Formula	C27H28F3N5O2
Molecular Weight	511.5
Exact Mass	511.21950964
LogP	5.60
Standard SMILES	COc1ccc(CCNc2nc(COCC(C)C)nc3nc(-c4ncccc4C(F)(F)F)ccc23)cc1
Canonical SMILES	CC(C)COCC1=NC2=C(C=CC(=N2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NCCC4=CC=C(C=C4)OC
Isomeric SMILES	CC(C)COCC1=NC2=C(C=CC(=N2)C3=C(C=CC=N3)C(F)(F)F)C(=N1)NCCC4=CC=C(C=C4)OC
Standard InChI Identifier	InChI=1S/C27H28F3N5O2/c1-17(2)15-37-16-23-34-25(32-14-12-18-6-8-19(36-3)9-7-18)20-10-11-22(33-26(20)35-23)24-21(27(28,29)30)5-4-13-31-24/h4-11,13,17H,12,14-16H2,1-3H3,(H,32,33,34,35)
Standard InChI Key	DNSMTJFMYCBSDV-UHFFFAOYSA-N
Compound Complexity	677.00
computational chemistry	Hydrogen Bond Acceptor Count：10 Hydrogen Bond Donor Count：1 Rotatable Bond Count：10 Heavy Atom Count：37 Total Chiral Atom Count：0 Defined Chiral Atom Count：0 Undefined Chiral Atom Count：0 Total Chiral Bond Count：0 Defined Chiral Bond Count：0 Undefined Chiral Bond Count：0 Isotope Atom Count：0 Covalent Unit Count：1 Tautomer Count：-1 Monoisotopic Mass：511.21950964