2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one

C11H11N3O — CID 135449835

IUPAC2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H11N3O/c1-7-9(8-5-3-2-4-6-8)13-11(12)14-10(7)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyRTJLTGPOGBPZFC-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.33
Rot. Bonds1

About 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135449835) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID135449835
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(N)[nH]c1=O
InChIInChI=1S/C11H11N3O/c1-7-9(8-5-3-2-4-6-8)13-11(12)14-10(7)15/h2-6H,1H3,(H3,12,13,14,15)
InChIKeyRTJLTGPOGBPZFC-UHFFFAOYSA-N
XLogP1.33
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 135449835) is 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is RTJLTGPOGBPZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-7-9(8-5-3-2-4-6-8)13-11(12)14-10(7)15/h2-6H,1H3,(H3,12,13,14,15).
What are the key properties of 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 201.23 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135449835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).