2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C15H18N4O2 — CID 155113117

IUPAC2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2c(N)nc3c(c2=O)CCNC3)cc1
InChIInChI=1S/C15H18N4O2/c1-21-11-4-2-10(3-5-11)9-19-14(20)12-6-7-17-8-13(12)18-15(19)16/h2-5,17H,6-9H2,1H3,(H2,16,18)
InChIKeyMIDPMOTZIPDDRM-UHFFFAOYSA-N
MW286.34 g/mol
LogP0.53
Rot. Bonds3

About 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 155113117) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID155113117
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOc1ccc(Cn2c(N)nc3c(c2=O)CCNC3)cc1
InChIInChI=1S/C15H18N4O2/c1-21-11-4-2-10(3-5-11)9-19-14(20)12-6-7-17-8-13(12)18-15(19)16/h2-5,17H,6-9H2,1H3,(H2,16,18)
InChIKeyMIDPMOTZIPDDRM-UHFFFAOYSA-N
XLogP0.53
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-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 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 155113117) is 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COc1ccc(Cn2c(N)nc3c(c2=O)CCNC3)cc1.
What is the InChIKey of 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MIDPMOTZIPDDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-11-4-2-10(3-5-11)9-19-14(20)12-6-7-17-8-13(12)18-15(19)16/h2-5,17H,6-9H2,1H3,(H2,16,18).
What are the key properties of 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 286.34 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methoxyphenyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155113117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).