N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine

C21H22N4 — CID 5005272

IUPACN-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-7-17(8-4-1)21-24-19(16-11-13-22-14-12-16)15-20(25-21)23-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,23,24,25)
InChIKeyXYKCKRZSZYIDFK-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.95
Rot. Bonds4

About N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine

N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine (PubChem CID 5005272) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
PubChem CID5005272
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(-c3ccncc3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-7-17(8-4-1)21-24-19(16-11-13-22-14-12-16)15-20(25-21)23-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,23,24,25)
InChIKeyXYKCKRZSZYIDFK-UHFFFAOYSA-N
XLogP4.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
CID 4157388
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
2-[2-(cyclohexylamino)-4-pyridinyl]-6-pyridin-4-ylpyridine-4-carboxylic acid
CID 67083636
6-phenyl-N,2-dipyridin-4-ylpyrimidin-4-amine
CID 4273597
N-piperidin-3-yl-2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56768481
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
4-N-cycloheptyl-6-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880638
6-(cyclopentylamino)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 112852815
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880169

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine (CID 5005272) is N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine is c1ccc(-c2nc(NC3CCCCC3)cc(-c3ccncc3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is XYKCKRZSZYIDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-7-17(8-4-1)21-24-19(16-11-13-22-14-12-16)15-20(25-21)23-18-9-5-2-6-10-18/h1,3-4,7-8,11-15,18H,2,5-6,9-10H2,(H,23,24,25).
What are the key properties of N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine?
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 330.44 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 5005272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).