2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one

C17H15N3O — CID 125492136

IUPAC2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
SMILESNc1ncc(Cc2ccc(-c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C17H15N3O/c18-17-19-11-15(16(21)20-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,18,19,20,21)
InChIKeyJTECCMXLUFPPBR-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.61
Rot. Bonds3

About 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one

2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 125492136) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID125492136
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one
SMILESNc1ncc(Cc2ccc(-c3ccccc3)cc2)c(=O)[nH]1
InChIInChI=1S/C17H15N3O/c18-17-19-11-15(16(21)20-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,18,19,20,21)
InChIKeyJTECCMXLUFPPBR-UHFFFAOYSA-N
XLogP2.61
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 22380532
5-benzyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 11139002
methanamine;2-[(4-phenylphenyl)methyl]aniline
CID 144956661
4-[(4-phenylphenyl)methyl]pyridine-2,3-diamine
CID 69371289
5-benzyl-2-piperazin-1-yl-1H-pyrimidin-6-one
CID 118023395
2-amino-5-(2-methylpropyl)-1H-pyrimidin-6-one
CID 117260668
3-[(4-phenylphenyl)methyl]-1H-pyrazin-2-one
CID 70148020
2-amino-5-benzyl-4-methyl-1H-pyrimidin-6-one
CID 135469356
2-amino-5-benzyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732162
5-phenyl-1H-imidazol-2-amine;propane
CID 143872640
2-amino-7-benzyl-3H-pteridin-4-one
CID 135822639
copper(1+);5-phenyl-1H-imidazol-2-amine;iodide
CID 175039174

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one (CID 125492136) is 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one is Nc1ncc(Cc2ccc(-c3ccccc3)cc2)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is JTECCMXLUFPPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-17-19-11-15(16(21)20-17)10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,11H,10H2,(H3,18,19,20,21).
What are the key properties of 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one?
2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 277.33 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-phenylphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 125492136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).