1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone

C9H12N4O — CID 23422332

IUPAC1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone
SMILESCC(=O)N1CCNc2ncnc(C)c21
InChIInChI=1S/C9H12N4O/c1-6-8-9(12-5-11-6)10-3-4-13(8)7(2)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHKOPJIUPEXCRTO-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.56
Rot. Bonds

About 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone

1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone (PubChem CID 23422332) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone
PubChem CID23422332
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone
SMILESCC(=O)N1CCNc2ncnc(C)c21
InChIInChI=1S/C9H12N4O/c1-6-8-9(12-5-11-6)10-3-4-13(8)7(2)14/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKeyHKOPJIUPEXCRTO-UHFFFAOYSA-N
XLogP0.56
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone 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-methyl-5H-pteridin-6-one
CID 595562
(7S)-2-chloro-4,7,8-trimethyl-5,6,7,8-tetrahydropteridin-6-one
CID 146193989
3-Ethyl-4-(6-methylpyrimidin-4-yl)piperazin-2-one
CID 75379309
4-Methyl-5,6,7,8-tetrahydropteridine
CID 23422329
Pteridine, 7,8-dihydro-4,6-dimethyl-
CID 23422324
Pteridine, 5-formyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422330
Pteridine, 5,8-diacetyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422334
Pteridine, 2-chloro-8-ethyl-5,6,7,8-tetrahydro-4-methyl-
CID 23422335
5-Acetyl-2-amino-5,6,7,8-tetrahydro-4-pteridinylamine
CID 91824304
Pteridine, 5-acetyl-2,4-bisdimethylamino-5,6,7,8-tetrahydro-
CID 121002881
Pyrimidine, 4-amino-6-methyl-5-methylformamido-
CID 145618706
6-Pteridinecarboxylic acid, 8-ethyl-2-ethylamino-5,8-dihydro-7-hydroxy-4-methyl-
CID 171384007

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone (CID 23422332) is 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone is CC(=O)N1CCNc2ncnc(C)c21.
What is the InChIKey of 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone?
The InChIKey is HKOPJIUPEXCRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8-9(12-5-11-6)10-3-4-13(8)7(2)14/h5H,3-4H2,1-2H3,(H,10,11,12).
What are the key properties of 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone?
1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone has a molecular weight of 192.22 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-7,8-dihydro-6H-pteridin-5-yl)ethanone is sourced from PubChem (CID 23422332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).