2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one

C16H13N3O — CID 135443857

IUPAC2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H13N3O/c17-16-18-14(10-15(20)19-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H3,17,18,19,20)
InChIKeyOZMKLCWIDDOBPE-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.69
Rot. Bonds2

About 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one

2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one (PubChem CID 135443857) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one
PubChem CID135443857
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1
InChIInChI=1S/C16H13N3O/c17-16-18-14(10-15(20)19-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H3,17,18,19,20)
InChIKeyOZMKLCWIDDOBPE-UHFFFAOYSA-N
XLogP2.69
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
3-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)benzonitrile
CID 135581560
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835
2-Amino-6-phenylpyrimidin-4-ol
CID 135420365
2-(cyclohexylamino)-6-phenyl-4(3H)-pyrimidinone
CID 135634689
2-amino-4-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
CID 136097004
6-phenyl-2-[(E)-2-phenylethenyl]pyrimidin-4(1H)-one
CID 135580273
2-amino-6-(2-(biphenyl-3-yl)ethyl)-3-methylpyrimidin-4(3H)-one
CID 11623676
2-(Methylamino)-6-phenylpyrimidin-4-ol
CID 135973621
2-Chloro-6-phenyl-3,4-dihydropyrimidin-4-one
CID 135621451
2-Amino-3-Methyl-6-[(1s,2r)-2-(3'-Methylbiphenyl-4-Yl)cyclopropyl]pyrimidin-4(3h)-One
CID 66545744

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one (CID 135443857) is 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one is Nc1nc(-c2ccc(-c3ccccc3)cc2)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one?
The InChIKey is OZMKLCWIDDOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-16-18-14(10-15(20)19-16)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H3,17,18,19,20).
What are the key properties of 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one?
2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one has a molecular weight of 263.30 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-phenylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135443857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).