2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

C18H24N4 — CID 112884954

IUPAC2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CCNc2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-3-7-15(8-4-1)11-13-19-17-12-14-20-18(22-17)21-16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16H,2,5-6,9-11,13H2,(H2,19,20,21,22)
InChIKeyFGSCTRGOQBTORT-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.88
Rot. Bonds6

About 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (PubChem CID 112884954) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
PubChem CID112884954
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
SMILESc1ccc(CCNc2ccnc(NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H24N4/c1-3-7-15(8-4-1)11-13-19-17-12-14-20-18(22-17)21-16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16H,2,5-6,9-11,13H2,(H2,19,20,21,22)
InChIKeyFGSCTRGOQBTORT-UHFFFAOYSA-N
XLogP3.88
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-2-N-cyclohexylpyrimidine-2,4-diamine
CID 112884937
2-N-cyclopentyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112884339
ethyl 4-[[4-(2-phenylethylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112893944
2-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 80777641
5-N-cyclohexyl-3-N-(2-phenylethyl)-1,2,4-triazine-3,5-diamine
CID 112942216
2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
4-N-cycloheptyl-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861063
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-cyclohexyl-4-N-[(2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 112884943
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984
4-N-cycloheptyl-2-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895253
4-N-butyl-2-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112882830

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine (CID 112884954) is 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is c1ccc(CCNc2ccnc(NC3CCCCC3)n2)cc1.
What is the InChIKey of 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
The InChIKey is FGSCTRGOQBTORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-3-7-15(8-4-1)11-13-19-17-12-14-20-18(22-17)21-16-9-5-2-6-10-16/h1,3-4,7-8,12,14,16H,2,5-6,9-11,13H2,(H2,19,20,21,22).
What are the key properties of 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine has a molecular weight of 296.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).