N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine

C22H23N3 — CID 132837921

IUPACN-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2cccc(C3CCCCC3)c2Nc2ncccn2)cc1
InChIInChI=1S/C22H23N3/c1-3-9-17(10-4-1)19-13-7-14-20(18-11-5-2-6-12-18)21(19)25-22-23-15-8-16-24-22/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2,(H,23,24,25)
InChIKeyGHBOLZPZXUJSBS-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.93
Rot. Bonds4

About N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine

N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine (PubChem CID 132837921) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine
PubChem CID132837921
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC NameN-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine
SMILESc1ccc(-c2cccc(C3CCCCC3)c2Nc2ncccn2)cc1
InChIInChI=1S/C22H23N3/c1-3-9-17(10-4-1)19-13-7-14-20(18-11-5-2-6-12-18)21(19)25-22-23-15-8-16-24-22/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2,(H,23,24,25)
InChIKeyGHBOLZPZXUJSBS-UHFFFAOYSA-N
XLogP5.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine (CID 132837921) is N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine is c1ccc(-c2cccc(C3CCCCC3)c2Nc2ncccn2)cc1.
What is the InChIKey of N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine?
The InChIKey is GHBOLZPZXUJSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-3-9-17(10-4-1)19-13-7-14-20(18-11-5-2-6-12-18)21(19)25-22-23-15-8-16-24-22/h1,3-4,7-10,13-16,18H,2,5-6,11-12H2,(H,23,24,25).
What are the key properties of N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine?
N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine has a molecular weight of 329.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-6-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 132837921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).