2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

C24H18N4O — CID 166626097

IUPAC2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H18N4O/c1-29-20-14-8-11-18(15-20)23-21(16-25)22(17-9-4-2-5-10-17)27-24(28-23)26-19-12-6-3-7-13-19/h2-15H,1H3,(H,26,27,28)
InChIKeyHVKSQMNCIJCXTN-UHFFFAOYSA-N
MW378.44 g/mol
LogP5.43
Rot. Bonds5

About 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166626097) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166626097
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESCOc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1
InChIInChI=1S/C24H18N4O/c1-29-20-14-8-11-18(15-20)23-21(16-25)22(17-9-4-2-5-10-17)27-24(28-23)26-19-12-6-3-7-13-19/h2-15H,1H3,(H,26,27,28)
InChIKeyHVKSQMNCIJCXTN-UHFFFAOYSA-N
XLogP5.43
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Zotiraciclib
CID 16739650
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
2,4-Diaminopyrimidine derivative, 10b
CID 11166495
2,4-Dicyclohexyl-6-methoxyquinazoline
CID 23640941
5-[3-(3-Methoxy-5-phenyl-phenyl)but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25093361
5-[(3S)-3-(3-methoxy-5-phenylphenyl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093370
6-Ethyl-5-[3-(5-Methoxybiphenyl-3-Yl)prop-1-Yn-1-Yl]pyrimidine-2,4-Diamine
CID 49788718
3-{2-Methoxy-6-[2-(4-methoxy-phenyl)-ethylamino]-pyrimidin-4-yl}-benzonitrile
CID 11660493
2-Amino-4-(m-methoxyphenyl)-6-(methylthio)-pyrimidine-5-carbonitrile
CID 2819137
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233

Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166626097) is 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is COc1cccc(-c2nc(Nc3ccccc3)nc(-c3ccccc3)c2C#N)c1.
What is the InChIKey of 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is HVKSQMNCIJCXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c1-29-20-14-8-11-18(15-20)23-21(16-25)22(17-9-4-2-5-10-17)27-24(28-23)26-19-12-6-3-7-13-19/h2-15H,1H3,(H,26,27,28).
What are the key properties of 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 378.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166626097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).