2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one

C19H19N3O — CID 11623676

IUPAC2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(-c3ccccc3)c2)cc1=O
InChIInChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)
InChIKeyOJPMWSXHQIEAMR-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.81
Rot. Bonds4

About 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one

2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one (PubChem CID 11623676) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one
PubChem CID11623676
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one
SMILESCn1c(N)nc(CCc2cccc(-c3ccccc3)c2)cc1=O
InChIInChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21)
InChIKeyOJPMWSXHQIEAMR-UHFFFAOYSA-N
XLogP2.81
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.81
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-(3-phenylphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one (CID 11623676) is 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one is Cn1c(N)nc(CCc2cccc(-c3ccccc3)c2)cc1=O.
What is the InChIKey of 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one?
The InChIKey is OJPMWSXHQIEAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-22-18(23)13-17(21-19(22)20)11-10-14-6-5-9-16(12-14)15-7-3-2-4-8-15/h2-9,12-13H,10-11H2,1H3,(H2,20,21).
What are the key properties of 2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one?
2-amino-3-methyl-6-[2-(3-phenylphenyl)ethyl]pyrimidin-4-one has a molecular weight of 305.38 g/mol, XLogP of 2.81, 4 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-(3-phenylphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 11623676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).