6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

C24H26N4O — CID 112852816

IUPAC6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c29-24(25-16-15-18-9-3-1-4-10-18)21-17-22(26-20-13-7-8-14-20)28-23(27-21)19-11-5-2-6-12-19/h1-6,9-12,17,20H,7-8,13-16H2,(H,25,29)(H,26,27,28)
InChIKeyDUCRUARCNJUCCU-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.47
Rot. Bonds7

About 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide

6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 112852816) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
PubChem CID112852816
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1
InChIInChI=1S/C24H26N4O/c29-24(25-16-15-18-9-3-1-4-10-18)21-17-22(26-20-13-7-8-14-20)28-23(27-21)19-11-5-2-6-12-19/h1-6,9-12,17,20H,7-8,13-16H2,(H,25,29)(H,26,27,28)
InChIKeyDUCRUARCNJUCCU-UHFFFAOYSA-N
XLogP4.47
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
N-benzyl-6-(cyclopropylamino)-2-phenylpyrimidine-4-carboxamide
CID 112851716
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
6-(cycloheptylamino)-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853574
6-(benzylamino)-N-cyclopentyl-2-phenylpyrimidine-4-carboxamide
CID 112852853
6-(cycloheptylamino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121643
6-(cyclopropylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112851732
6-(butan-2-ylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112852515
6-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-2-phenylpyrimidine-4-carboxamide
CID 112851723
6-(3-methoxypropylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853304
6-(cyclopropylamino)-N-(2-morpholin-4-ylethyl)-2-phenylpyrimidine-4-carboxamide
CID 112851709
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide (CID 112852816) is 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is O=C(NCCc1ccccc1)c1cc(NC2CCCC2)nc(-c2ccccc2)n1.
What is the InChIKey of 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is DUCRUARCNJUCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(25-16-15-18-9-3-1-4-10-18)21-17-22(26-20-13-7-8-14-20)28-23(27-21)19-11-5-2-6-12-19/h1-6,9-12,17,20H,7-8,13-16H2,(H,25,29)(H,26,27,28).
What are the key properties of 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide?
6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopentylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112852816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).