1-methylpteridin-2-one

C7H6N4O — CID 23424435

IUPAC1-methylpteridin-2-one
SMILESCn1c(=O)ncc2nccnc21
InChIInChI=1S/C7H6N4O/c1-11-6-5(4-10-7(11)12)8-2-3-9-6/h2-4H,1H3
InChIKeyLTDGAKSGAQHSFE-UHFFFAOYSA-N
MW162.15 g/mol
LogP-0.28
Rot. Bonds

About 1-methylpteridin-2-one

1-methylpteridin-2-one (PubChem CID 23424435) has the molecular formula C7H6N4O and a molecular weight of 162.15 g/mol. Its IUPAC name is 1-methylpteridin-2-one.

Molecular Properties

Compound Name1-methylpteridin-2-one
PubChem CID23424435
Molecular FormulaC7H6N4O
Molecular Weight162.15 g/mol
Exact Mass162.05
IUPAC Name1-methylpteridin-2-one
SMILESCn1c(=O)ncc2nccnc21
InChIInChI=1S/C7H6N4O/c1-11-6-5(4-10-7(11)12)8-2-3-9-6/h2-4H,1H3
InChIKeyLTDGAKSGAQHSFE-UHFFFAOYSA-N
XLogP-0.28
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Pteridinol
CID 590556
AB-323/13887529
CID 822307
N,N,3-Trimethylpyrazin-2-amine
CID 44327689
6-methyl-1H-pteridin-2-one
CID 595633
4-Amino-1-methylpteridin-2(1H)-one
CID 23422205
3,4-Dihydropteridin-2(1H)-one
CID 23422317
pteridin-2(1H)-one, 7-methyl-
CID 145826284
Pteridine, 1,4-dihydro-4-imino-1-methyl-
CID 23422110
Pteridine, 1,4-dihydro-1-methyl-4-methylimino-
CID 23422112
2(1H)-Pteridinone, 1,6,7-trimethyl-
CID 129911226
Pteridine, 2-hydroxy-4-methylamino-
CID 133672328
Pteridine, 1-ethoxycarbonyl-
CID 171384651

Frequently Asked Questions

What is the IUPAC name of 1-methylpteridin-2-one?
The IUPAC name of 1-methylpteridin-2-one (CID 23424435) is 1-methylpteridin-2-one.
What is the SMILES notation for 1-methylpteridin-2-one?
The canonical SMILES for 1-methylpteridin-2-one is Cn1c(=O)ncc2nccnc21.
What is the InChIKey of 1-methylpteridin-2-one?
The InChIKey is LTDGAKSGAQHSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O/c1-11-6-5(4-10-7(11)12)8-2-3-9-6/h2-4H,1H3.
What are the key properties of 1-methylpteridin-2-one?
1-methylpteridin-2-one has a molecular weight of 162.15 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpteridin-2-one is sourced from PubChem (CID 23424435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).