6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C16H22ClN5 — CID 139300487

IUPAC6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccn(-c2nc(Cl)cc(NC3CCC(C)(C)CC3)n2)n1
InChIInChI=1S/C16H22ClN5/c1-11-6-9-22(21-11)15-19-13(17)10-14(20-15)18-12-4-7-16(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19,20)
InChIKeyQAARWEVVTZNXSB-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.00
Rot. Bonds3

About 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 139300487) has the molecular formula C16H22ClN5 and a molecular weight of 319.84 g/mol. Its IUPAC name is 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID139300487
Molecular FormulaC16H22ClN5
Molecular Weight319.84 g/mol
Exact Mass319.16
IUPAC Name6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccn(-c2nc(Cl)cc(NC3CCC(C)(C)CC3)n2)n1
InChIInChI=1S/C16H22ClN5/c1-11-6-9-22(21-11)15-19-13(17)10-14(20-15)18-12-4-7-16(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19,20)
InChIKeyQAARWEVVTZNXSB-UHFFFAOYSA-N
XLogP4.00
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4,4-difluorocyclohexyl)-6-methoxy-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 139319894
6-chloro-4-N-(4,4-dimethylcyclohexyl)pyrimidine-2,4-diamine
CID 79033810
6-chloro-N-(4,4-difluorocyclohexyl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 139300624
4-[[6-chloro-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 139300317
6-chloro-N-(4,4-dimethylcyclohexyl)-2-methylsulfanylpyrimidin-4-amine
CID 80546831
6-chloro-N-(4-fluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 139300591
[6-[(4,4-difluorocyclohexyl)amino]-2-(3-methylpyrazol-1-yl)pyrimidin-4-yl] 2-hydroxyacetate
CID 139300232
N-(4,4-difluorocyclohexyl)-2-(3-ethoxypyrazol-1-yl)-6-methylpyrimidin-4-amine
CID 139300508
6-chloro-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine;cyclopropylboronic acid;6-cyclopropyl-2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)pyrimidin-4-amine
CID 159137466
sodium;6-(1-bromoethyl)-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)-6-(1-methylsulfonylethyl)pyrimidin-4-amine;methanesulfinate
CID 157292786
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(2,6-dimethylmorpholin-4-yl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;2,6-dimethylmorpholine
CID 160793282
N-(4,4-dimethylcyclohexyl)-6-methoxy-2-methylpyrimidin-4-amine
CID 66327750

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 139300487) is 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is Cc1ccn(-c2nc(Cl)cc(NC3CCC(C)(C)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is QAARWEVVTZNXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5/c1-11-6-9-22(21-11)15-19-13(17)10-14(20-15)18-12-4-7-16(2,3)8-5-12/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 319.84 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-dimethylcyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).