2-methyl-N-[2,4,6-tris(2-methylprop-2-enoylamino)pyrimidin-5-yl]prop-2-enamide;sulfuric acid

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

	Common Name	2-methyl-N-[2,4,6-tris(2-methylprop-2-enoylamino)pyrimidin-5-yl]prop-2-enamide;sulfuric acid	English Name	2-methyl-N-[2,4,6-tris(2-methylprop-2-enoylamino)pyrimidin-5-yl]prop-2-enamide;sulfuric acid
	CAS NO.	N/A	Molecular Weight	510.5
	Density	N/A	Boiling Point	N/A
	Molecular Formula	C₂₀H₂₆N₆O₈S	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A
	Symbol	N/A	Signal Word	N/A

Properties

English Name	2-methyl-N-[2,4,6-tris(2-methylprop-2-enoylamino)pyrimidin-5-yl]prop-2-enamide;sulfuric acid

Molecular Formula	C20H26N6O8S
Molecular Weight	510.5
Exact Mass	510.15328298
LogP	0.00
Standard SMILES	C=C(C)C(=O)Nc1nc(NC(=O)C(=C)C)c(NC(=O)C(=C)C)c(NC(=O)C(=C)C)n1.O=S(=O)(O)O
Canonical SMILES	CC(=C)C(=O)NC1=C(N=C(N=C1NC(=O)C(=C)C)NC(=O)C(=C)C)NC(=O)C(=C)C.OS(=O)(=O)O
Isomeric SMILES	CC(=C)C(=O)NC1=C(N=C(N=C1NC(=O)C(=C)C)NC(=O)C(=C)C)NC(=O)C(=C)C.OS(=O)(=O)O
Standard InChI Identifier	InChI=1S/C20H24N6O4.H2O4S/c1-9(2)16(27)21-13-14(22-17(28)10(3)4)24-20(26-19(30)12(7)8)25-15(13)23-18(29)11(5)6;1-5(2,3)4/h1,3,5,7H2,2,4,6,8H3,(H,21,27)(H3,22,23,24,25,26,28,29,30);(H2,1,2,3,4)
Standard InChI Key	KMQFJPBWFJULQL-UHFFFAOYSA-N
Compound Complexity	846.00
computational chemistry	Hydrogen Bond Acceptor Count：10 Hydrogen Bond Donor Count：6 Rotatable Bond Count：8 Heavy Atom Count：35 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：2 Tautomer Count：-1 Monoisotopic Mass：510.15328298