2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one

C13H15N3O — CID 16722358

IUPAC2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one
SMILESCn1c(N)nc(CCc2ccccc2)cc1=O
InChIInChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
InChIKeyMALAKURYZJFBLT-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.15
Rot. Bonds3

About 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one

2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one (PubChem CID 16722358) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one
PubChem CID16722358
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one
SMILESCn1c(N)nc(CCc2ccccc2)cc1=O
InChIInChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15)
InChIKeyMALAKURYZJFBLT-UHFFFAOYSA-N
XLogP1.15
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one (CID 16722358) is 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one is Cn1c(N)nc(CCc2ccccc2)cc1=O.
What is the InChIKey of 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is MALAKURYZJFBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-16-12(17)9-11(15-13(16)14)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H2,14,15).
What are the key properties of 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one?
2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 229.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-6-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 16722358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).