2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

C24H29N5 — CID 112934693

IUPAC2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H29N5/c1-29(17-14-19-12-15-25-16-13-19)23-18-22(20-8-4-2-5-9-20)27-24(28-23)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21H,3,6-7,10-11,14,17H2,1H3,(H,26,27,28)
InChIKeyJRVFENCBQWRTGE-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.96
Rot. Bonds7

About 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine

2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (PubChem CID 112934693) has the molecular formula C24H29N5 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
PubChem CID112934693
Molecular FormulaC24H29N5
Molecular Weight387.53 g/mol
Exact Mass387.24
IUPAC Name2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
SMILESCN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CCCCC2)n1
InChIInChI=1S/C24H29N5/c1-29(17-14-19-12-15-25-16-13-19)23-18-22(20-8-4-2-5-9-20)27-24(28-23)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21H,3,6-7,10-11,14,17H2,1H3,(H,26,27,28)
InChIKeyJRVFENCBQWRTGE-UHFFFAOYSA-N
XLogP4.96
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-cyclopropyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112933123
4-N-benzyl-2-N-cyclopentyl-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112909804
N-cyclohexyl-2-methyl-6-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109363969
N-cyclohexyl-2-phenyl-6-pyridin-4-ylpyrimidin-4-amine
CID 5005272
4-N-benzyl-2-N-cyclohexyl-4-N-methylpyrimidine-2,4-diamine
CID 112884942
4-N-butyl-2-N-cyclohexyl-6-phenylpyrimidine-2,4-diamine
CID 112933540
2-N-cyclopentyl-6-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112934432
4-N-cyclopropyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112882249
6-N-(2-methoxyethyl)-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112880263
2-N-benzyl-2-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890972
4-N-methyl-2-N-(1-phenylethyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112890689
6-N-butyl-4-N-methyl-2-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-4,6-diamine
CID 112879731

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine (CID 112934693) is 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is CN(CCc1ccncc1)c1cc(-c2ccccc2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
The InChIKey is JRVFENCBQWRTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5/c1-29(17-14-19-12-15-25-16-13-19)23-18-22(20-8-4-2-5-9-20)27-24(28-23)26-21-10-6-3-7-11-21/h2,4-5,8-9,12-13,15-16,18,21H,3,6-7,10-11,14,17H2,1H3,(H,26,27,28).
What are the key properties of 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine?
2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine has a molecular weight of 387.53 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N-methyl-6-phenyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).