1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

C19H18N4O — CID 155969290

IUPAC1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC1c2cnccc2CCN1c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C19H18N4O/c1-14-17-12-20-9-7-15(17)8-10-23(14)18-11-19(22-13-21-18)24-16-5-3-2-4-6-16/h2-7,9,11-14H,8,10H2,1H3
InChIKeyBYQIRIOSHAWRSQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.79
Rot. Bonds3

About 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine

1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (PubChem CID 155969290) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.

Molecular Properties

Compound Name1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
PubChem CID155969290
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
SMILESCC1c2cnccc2CCN1c1cc(Oc2ccccc2)ncn1
InChIInChI=1S/C19H18N4O/c1-14-17-12-20-9-7-15(17)8-10-23(14)18-11-19(22-13-21-18)24-16-5-3-2-4-6-16/h2-7,9,11-14H,8,10H2,1H3
InChIKeyBYQIRIOSHAWRSQ-UHFFFAOYSA-N
XLogP3.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine 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 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The IUPAC name of 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine (CID 155969290) is 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine.
What is the SMILES notation for 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The canonical SMILES for 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is CC1c2cnccc2CCN1c1cc(Oc2ccccc2)ncn1.
What is the InChIKey of 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
The InChIKey is BYQIRIOSHAWRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-14-17-12-20-9-7-15(17)8-10-23(14)18-11-19(22-13-21-18)24-16-5-3-2-4-6-16/h2-7,9,11-14H,8,10H2,1H3.
What are the key properties of 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine?
1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine has a molecular weight of 318.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-phenoxypyrimidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine is sourced from PubChem (CID 155969290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).