N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine

C21H22N4 — CID 4157388

IUPACN-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-8-16(9-4-1)21-24-19(17-10-7-13-22-15-17)14-20(25-21)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-15,18H,2,5-6,11-12H2,(H,23,24,25)
InChIKeyYESKAQNLVBENMP-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.95
Rot. Bonds4

About N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine

N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine (PubChem CID 4157388) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
PubChem CID4157388
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC NameN-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine
SMILESc1ccc(-c2nc(NC3CCCCC3)cc(-c3cccnc3)n2)cc1
InChIInChI=1S/C21H22N4/c1-3-8-16(9-4-1)21-24-19(17-10-7-13-22-15-17)14-20(25-21)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-15,18H,2,5-6,11-12H2,(H,23,24,25)
InChIKeyYESKAQNLVBENMP-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-4-ylpyrimidin-4-amine
CID 5005272
trans-(1S,2S)-2-[(2-pyridin-2-yl-6-pyridin-3-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 69183255
N-piperidin-3-yl-2-pyridin-3-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 56768481
N-cyclopentyl-6-(cyclopentylamino)-2-phenylpyrimidine-4-carboxamide
CID 112852793
6-N-cyclohexyl-4-N-(1,1-dioxothiolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 112880169
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
6-methyl-N-piperidin-4-yl-2-pyridin-3-ylpyrimidin-4-amine
CID 94075322
4-N-cyclobutyl-6-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 112559826
N-cyclopentyl-6-methoxy-2-phenylpyrimidin-4-amine
CID 71031794
N-cyclopropyl-6-pyridin-2-yl-2-pyridin-4-ylpyrimidin-4-amine
CID 4107604
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
N-piperidin-4-yl-2-propan-2-yl-6-pyridin-3-ylpyrimidin-4-amine
CID 56767060

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine (CID 4157388) is N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine is c1ccc(-c2nc(NC3CCCCC3)cc(-c3cccnc3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
The InChIKey is YESKAQNLVBENMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-3-8-16(9-4-1)21-24-19(17-10-7-13-22-15-17)14-20(25-21)23-18-11-5-2-6-12-18/h1,3-4,7-10,13-15,18H,2,5-6,11-12H2,(H,23,24,25).
What are the key properties of N-cyclohexyl-2-phenyl-6-pyridin-3-ylpyrimidin-4-amine?
N-cyclohexyl-2-phenyl-6-pyridin-3-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-3-ylpyrimidin-4-amine is sourced from PubChem (CID 4157388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).