6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one

C14H14N4O — CID 82481969

IUPAC6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ncnc(-c2ccc3c(c2)CCC(=O)N3)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)14(17-7-16-8)10-2-4-11-9(6-10)3-5-12(19)18-11/h2,4,6-7H,3,5,15H2,1H3,(H,18,19)
InChIKeySUTHVFQYIKZNNF-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.92
Rot. Bonds1

About 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one

6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82481969) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID82481969
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
SMILESCc1ncnc(-c2ccc3c(c2)CCC(=O)N3)c1N
InChIInChI=1S/C14H14N4O/c1-8-13(15)14(17-7-16-8)10-2-4-11-9(6-10)3-5-12(19)18-11/h2,4,6-7H,3,5,15H2,1H3,(H,18,19)
InChIKeySUTHVFQYIKZNNF-UHFFFAOYSA-N
XLogP1.92
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-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

Related Compounds

5-(5-amino-6-methylpyrimidin-4-yl)-3,3-dimethyl-1H-indol-2-one
CID 82487599
6-(5-amino-6-methylpyrimidin-4-yl)-4H-1,4-benzothiazin-3-one
CID 96668447
6-(5-fluoro-2-methyl-1H-imidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 166047857
6-(5-aminothiophen-2-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82478582
6-(2-chloro-3-methylphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 167292467
6-(1,2-diaminoimidazol-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 82293668
6-[3-(aminomethyl)-1-methylpyrazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82482603
6-[4-(dimethylamino)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 12001471
6-(3-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 163249682
6-(2-amino-4-ethyl-1,3-oxazol-5-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116832062
6-(2-bromo-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one
CID 116897256
6-[(5-amino-4-methyl-2-pyridinyl)oxy]-3,4-dihydro-1H-quinolin-2-one
CID 79175974

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one (CID 82481969) is 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one is Cc1ncnc(-c2ccc3c(c2)CCC(=O)N3)c1N.
What is the InChIKey of 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is SUTHVFQYIKZNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-8-13(15)14(17-7-16-8)10-2-4-11-9(6-10)3-5-12(19)18-11/h2,4,6-7H,3,5,15H2,1H3,(H,18,19).
What are the key properties of 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one?
6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-6-methylpyrimidin-4-yl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82481969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).