4-amino-6-methyl-2-phenyl-8H-pteridin-7-one

C13H11N5O — CID 125495567

IUPAC4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
SMILESCc1nc2c(N)nc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C13H11N5O/c1-7-13(19)18-12-9(15-7)10(14)16-11(17-12)8-5-3-2-4-6-8/h2-6H,1H3,(H3,14,16,17,18,19)
InChIKeyRLDOSCBKZFUJLX-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one

4-amino-6-methyl-2-phenyl-8H-pteridin-7-one (PubChem CID 125495567) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one.

Molecular Properties

Compound Name4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
PubChem CID125495567
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name4-amino-6-methyl-2-phenyl-8H-pteridin-7-one
SMILESCc1nc2c(N)nc(-c3ccccc3)nc2[nH]c1=O
InChIInChI=1S/C13H11N5O/c1-7-13(19)18-12-9(15-7)10(14)16-11(17-12)8-5-3-2-4-6-8/h2-6H,1H3,(H3,14,16,17,18,19)
InChIKeyRLDOSCBKZFUJLX-UHFFFAOYSA-N
XLogP1.27
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-methyl-2-phenylpyrimidin-4-amine
CID 66304858
5-iodo-6-methyl-2-phenylpyrimidin-4-amine
CID 12795372
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 71122482
5-phenyl-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 67266146
5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 83870895
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
2,5-diphenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 66786947
4,5,6-trimethyl-2-phenylpyrimidine
CID 21336303
9-methyl-2-phenylpurin-6-amine
CID 121009217
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one?
The IUPAC name of 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one (CID 125495567) is 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one.
What is the SMILES notation for 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one?
The canonical SMILES for 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one is Cc1nc2c(N)nc(-c3ccccc3)nc2[nH]c1=O.
What is the InChIKey of 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one?
The InChIKey is RLDOSCBKZFUJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O/c1-7-13(19)18-12-9(15-7)10(14)16-11(17-12)8-5-3-2-4-6-8/h2-6H,1H3,(H3,14,16,17,18,19).
What are the key properties of 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one?
4-amino-6-methyl-2-phenyl-8H-pteridin-7-one has a molecular weight of 253.27 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-2-phenyl-8H-pteridin-7-one is sourced from PubChem (CID 125495567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).