7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one

C17H18F2N4O3 — CID 85470944

IUPAC7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(C)c3N(C)C2=O)c1F
InChIInChI=1S/C17H18F2N4O3/c1-8-14-9(6-21-16(8)20)7-23(17(24)22(14)2)15-12(18)10(25-3)5-11(26-4)13(15)19/h5-6H,7H2,1-4H3,(H2,20,21)
InChIKeyHNGHJAMSLIQBLE-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.84
Rot. Bonds3

About 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one

7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 85470944) has the molecular formula C17H18F2N4O3 and a molecular weight of 364.35 g/mol. Its IUPAC name is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID85470944
Molecular FormulaC17H18F2N4O3
Molecular Weight364.35 g/mol
Exact Mass364.13
IUPAC Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCOc1cc(OC)c(F)c(N2Cc3cnc(N)c(C)c3N(C)C2=O)c1F
InChIInChI=1S/C17H18F2N4O3/c1-8-14-9(6-21-16(8)20)7-23(17(24)22(14)2)15-12(18)10(25-3)5-11(26-4)13(15)19/h5-6H,7H2,1-4H3,(H2,20,21)
InChIKeyHNGHJAMSLIQBLE-UHFFFAOYSA-N
XLogP2.84
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one (CID 85470944) is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one is COc1cc(OC)c(F)c(N2Cc3cnc(N)c(C)c3N(C)C2=O)c1F.
What is the InChIKey of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is HNGHJAMSLIQBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O3/c1-8-14-9(6-21-16(8)20)7-23(17(24)22(14)2)15-12(18)10(25-3)5-11(26-4)13(15)19/h5-6H,7H2,1-4H3,(H2,20,21).
What are the key properties of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one?
7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 364.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1,8-dimethyl-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 85470944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).