4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine

C17H22N4 — CID 112884209

IUPAC4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1Nc1nccc(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-12-6-5-7-13(2)16(12)21-17-18-11-10-15(20-17)19-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyOFAWXSUCBBTHGV-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.19
Rot. Bonds4

About 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine

4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine (PubChem CID 112884209) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
PubChem CID112884209
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
SMILESCc1cccc(C)c1Nc1nccc(NC2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-12-6-5-7-13(2)16(12)21-17-18-11-10-15(20-17)19-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H2,18,19,20,21)
InChIKeyOFAWXSUCBBTHGV-UHFFFAOYSA-N
XLogP4.19
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
4-N-cycloheptyl-2-N-(3-fluorophenyl)pyrimidine-2,4-diamine
CID 112899930
4-N-cycloheptyl-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 112899904
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
4-N-[3-(dimethylamino)butyl]-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 23653229
4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899905
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
ethyl 4-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112897761
methyl 4-[[4-(cyclopentylamino)pyrimidin-2-yl]amino]benzoate
CID 112884257
2-N-(2,6-dimethylphenyl)-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112893984

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine (CID 112884209) is 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine is Cc1cccc(C)c1Nc1nccc(NC2CCCC2)n1.
What is the InChIKey of 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
The InChIKey is OFAWXSUCBBTHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-6-5-7-13(2)16(12)21-17-18-11-10-15(20-17)19-14-8-3-4-9-14/h5-7,10-11,14H,3-4,8-9H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine?
4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-2-N-(2,6-dimethylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112884209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).