6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide

C28H28N4O — CID 69174880

IUPAC6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCCCC(Cc1ccccc1)N(c1ccccc1)c1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C28H28N4O/c1-2-12-24(19-21-13-6-3-7-14-21)32(23-17-10-5-11-18-23)28-30-25(20-26(31-28)27(29)33)22-15-8-4-9-16-22/h3-11,13-18,20,24H,2,12,19H2,1H3,(H2,29,33)
InChIKeySKIHCWVJWFEONQ-UHFFFAOYSA-N
MW436.56 g/mol
LogP5.79
Rot. Bonds9

About 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide

6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 69174880) has the molecular formula C28H28N4O and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide
PubChem CID69174880
Molecular FormulaC28H28N4O
Molecular Weight436.56 g/mol
Exact Mass436.23
IUPAC Name6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide
SMILESCCCC(Cc1ccccc1)N(c1ccccc1)c1nc(C(N)=O)cc(-c2ccccc2)n1
InChIInChI=1S/C28H28N4O/c1-2-12-24(19-21-13-6-3-7-14-21)32(23-17-10-5-11-18-23)28-30-25(20-26(31-28)27(29)33)22-15-8-4-9-16-22/h3-11,13-18,20,24H,2,12,19H2,1H3,(H2,29,33)
InChIKeySKIHCWVJWFEONQ-UHFFFAOYSA-N
XLogP5.79
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[bis(3-methylbutyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15603891
2-[bis(2-methylpropyl)amino]-6-phenylpyrimidine-4-carboxamide
CID 15604467
2-(diethylamino)-6-(3-methylphenyl)pyrimidine-4-carboxamide
CID 58872642
2-[N-(1-phenylpentan-2-yl)anilino]ethanol
CID 67671910
2-amino-N-(1-phenylpentan-2-yl)-N-propylacetamide
CID 119316989
2-(tert-butylamino)-6-phenylpyrimidine-4-carboxamide
CID 58872695
6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
CID 97325450
1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156
1-(2-methyl-6-phenylpyrimidin-4-yl)propan-1-one
CID 12562149
3-benzylhexan-2-one
CID 12816361
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
CID 58872668
6-(2-methylpropyl)-2-phenylpyrimidine-4-carboxamide
CID 141154535

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide (CID 69174880) is 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide is CCCC(Cc1ccccc1)N(c1ccccc1)c1nc(C(N)=O)cc(-c2ccccc2)n1.
What is the InChIKey of 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is SKIHCWVJWFEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O/c1-2-12-24(19-21-13-6-3-7-14-21)32(23-17-10-5-11-18-23)28-30-25(20-26(31-28)27(29)33)22-15-8-4-9-16-22/h3-11,13-18,20,24H,2,12,19H2,1H3,(H2,29,33).
What are the key properties of 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide?
6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[N-(1-phenylpentan-2-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 69174880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).