1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

CAS: 192705-79-6

Formula: C20H24N6O3

SMILES: COC1=CC(=CC(OC)=C1)C1=CC2=CN=C(N)N=C2N=C1NC(=O)NC(C)(C)C

IUPAC: 1-[2-amino-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea

InChI: InChI=1S/C20H24N6O3/c1-20(2,3)26-19(27)25-17-15(8-12-10-22-18(21)24-16(12)23-17)11-6-13(28-4)9-14(7-11)29-5/h6-10H,1-5H3,(H4,21,22,23,24,25,26,27)

Composition: C (60.59%), H (6.10%), N (21.20%), O (12.11%)

Molar Mass: 396.451

Atom Count: 53

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	396.190988657
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	NHJSWORVNIOXIT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	113.48
Topological Polar Surface Area	124.28
Polarizability	43.15
Ring Count	3
Rotatable Bond Count	5

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