8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one

C9H10N4O — CID 138511709

IUPAC8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCNCc1nccc2c(=O)[nH]cnc12
InChIInChI=1S/C9H10N4O/c1-10-4-7-8-6(2-3-11-7)9(14)13-5-12-8/h2-3,5,10H,4H2,1H3,(H,12,13,14)
InChIKeyATABBEVZUNLTMQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP0.04
Rot. Bonds2

About 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one

8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 138511709) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID138511709
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one
SMILESCNCc1nccc2c(=O)[nH]cnc12
InChIInChI=1S/C9H10N4O/c1-10-4-7-8-6(2-3-11-7)9(14)13-5-12-8/h2-3,5,10H,4H2,1H3,(H,12,13,14)
InChIKeyATABBEVZUNLTMQ-UHFFFAOYSA-N
XLogP0.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(methylaminomethyl)-3H-pyrido[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

Related Compounds

4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxylic acid
CID 163272160
4-oxo-3H-pyrido[3,4-d]pyrimidine-8-carboxamide
CID 136591240
3,7-dihydropyrrolo[2,3-h]quinazolin-4-one
CID 152522842
N,3-dimethyl-1-(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)pyrrolidine-3-carboxamide
CID 154763274
tert-butyl N-[(2R)-4-[(4-oxo-3H-pyrido[3,4-d]pyrimidin-8-yl)amino]butan-2-yl]carbamate
CID 137153000
8-[2-(2-hydroxyethylamino)-1,3-thiazol-4-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 137053145
8-(2,2,2-trifluoroethoxy)-3H-quinazolin-4-one
CID 136677425
8-fluoro-7-methoxy-3H-quinazolin-4-one
CID 136983588
8-(2-aminoethyl)-3H-quinazolin-4-one
CID 174220949
azanide;1,9-dihydropurin-6-one;ruthenium(8+);chloride
CID 138986802
5-methoxy-4-[(3-methyl-2-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 137016426
2-[[(7-methyl-4-oxo-3H-quinazolin-8-yl)amino]methylidene]propanedinitrile
CID 168545078

Frequently Asked Questions

What is the IUPAC name of 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one (CID 138511709) is 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one is CNCc1nccc2c(=O)[nH]cnc12.
What is the InChIKey of 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ATABBEVZUNLTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-10-4-7-8-6(2-3-11-7)9(14)13-5-12-8/h2-3,5,10H,4H2,1H3,(H,12,13,14).
What are the key properties of 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one?
8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 190.21 g/mol, XLogP of 0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(methylaminomethyl)-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 138511709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).