6-chloro-3-methylpteridin-4-one

C7H5ClN4O — CID 91621946

IUPAC6-chloro-3-methylpteridin-4-one
SMILESCn1cnc2ncc(Cl)nc2c1=O
InChIInChI=1S/C7H5ClN4O/c1-12-3-10-6-5(7(12)13)11-4(8)2-9-6/h2-3H,1H3
InChIKeyLDFDBHQFNFDIGH-UHFFFAOYSA-N
MW196.60 g/mol
LogP0.38
Rot. Bonds

About 6-chloro-3-methylpteridin-4-one

6-chloro-3-methylpteridin-4-one (PubChem CID 91621946) has the molecular formula C7H5ClN4O and a molecular weight of 196.60 g/mol. Its IUPAC name is 6-chloro-3-methylpteridin-4-one.

Molecular Properties

Compound Name6-chloro-3-methylpteridin-4-one
PubChem CID91621946
Molecular FormulaC7H5ClN4O
Molecular Weight196.60 g/mol
Exact Mass196.02
IUPAC Name6-chloro-3-methylpteridin-4-one
SMILESCn1cnc2ncc(Cl)nc2c1=O
InChIInChI=1S/C7H5ClN4O/c1-12-3-10-6-5(7(12)13)11-4(8)2-9-6/h2-3H,1H3
InChIKeyLDFDBHQFNFDIGH-UHFFFAOYSA-N
XLogP0.38
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.60
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165149924
N-(6-chloro-4-oxopteridin-3-yl)-2,2-dimethylpropanamide
CID 102315638
3-methoxy-6-methylpteridin-4-one
CID 595486
2-chloro-7-methyl-1,7-naphthyridin-8-one
CID 134828291
1,7-dimethylpurin-6-one;propane
CID 142357897
6-chloro-5-fluoro-3-methylpyrimidin-4-one
CID 133060787
2-chloro-1,9-dimethylpurin-6-one
CID 127263212
6-amino-3-methylpyrido[3,2-d]pyrimidin-4-one
CID 165150028
7-methoxy-1-methylpurin-6-one
CID 14192026
2-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-1-(5-chloropyrazin-2-yl)-9-methylpurin-6-one
CID 89141503
1,5-dimethylimidazo[4,5-c]pyridin-4-one
CID 14148531
5,7-dichloro-3-methylimidazo[4,5-b]pyridine
CID 59696154

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methylpteridin-4-one?
The IUPAC name of 6-chloro-3-methylpteridin-4-one (CID 91621946) is 6-chloro-3-methylpteridin-4-one.
What is the SMILES notation for 6-chloro-3-methylpteridin-4-one?
The canonical SMILES for 6-chloro-3-methylpteridin-4-one is Cn1cnc2ncc(Cl)nc2c1=O.
What is the InChIKey of 6-chloro-3-methylpteridin-4-one?
The InChIKey is LDFDBHQFNFDIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O/c1-12-3-10-6-5(7(12)13)11-4(8)2-9-6/h2-3H,1H3.
What are the key properties of 6-chloro-3-methylpteridin-4-one?
6-chloro-3-methylpteridin-4-one has a molecular weight of 196.60 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methylpteridin-4-one is sourced from PubChem (CID 91621946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).