4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C30H39ClF4N10 — CID 159078630

IUPAC4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nccc(Cl)n2)n1.Cc1cc(C)n(-c2nccc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5.C9H9ClN4.C6H11F2N/c1-10-9-11(2)22(21-10)14-18-8-5-13(20-14)19-12-3-6-15(16,17)7-4-12;1-6-5-7(2)14(13-6)9-11-4-3-8(10)12-9;7-6(8)3-1-5(9)2-4-6/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,18,19,20);3-5H,1-2H3;5H,1-4,9H2
InChIKeyKAONIMNWUBLBFT-UHFFFAOYSA-N
MW651.16 g/mol
LogP6.72
Rot. Bonds4

About 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 159078630) has the molecular formula C30H39ClF4N10 and a molecular weight of 651.16 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID159078630
Molecular FormulaC30H39ClF4N10
Molecular Weight651.16 g/mol
Exact Mass650.30
IUPAC Name4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nccc(Cl)n2)n1.Cc1cc(C)n(-c2nccc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H19F2N5.C9H9ClN4.C6H11F2N/c1-10-9-11(2)22(21-10)14-18-8-5-13(20-14)19-12-3-6-15(16,17)7-4-12;1-6-5-7(2)14(13-6)9-11-4-3-8(10)12-9;7-6(8)3-1-5(9)2-4-6/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,18,19,20);3-5H,1-2H3;5H,1-4,9H2
InChIKeyKAONIMNWUBLBFT-UHFFFAOYSA-N
XLogP6.72
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500651.16
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-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

2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 72945320
4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(1-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 132206673
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
CID 132206871
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 132206910
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132206918
N-(4,4-difluorocyclohexyl)-6-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 132207709
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3-methylpyrazol-1-yl)pyrimidin-2-amine
CID 132207843
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine
CID 157087858
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(4-fluoropyrazol-1-yl)-6-methylpyrimidin-4-amine;4-fluoro-1H-pyrazole
CID 157468443
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]pyrazole-3-carbonitrile;1H-pyrazole-5-carbonitrile
CID 157796891
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;3,5-dimethyl-1H-pyrazole
CID 158619119
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3-ethylpyrazol-1-yl)-6-methylpyrimidin-4-amine;5-ethyl-1H-pyrazole
CID 158723206

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 159078630) is 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2nccc(Cl)n2)n1.Cc1cc(C)n(-c2nccc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is KAONIMNWUBLBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N5.C9H9ClN4.C6H11F2N/c1-10-9-11(2)22(21-10)14-18-8-5-13(20-14)19-12-3-6-15(16,17)7-4-12;1-6-5-7(2)14(13-6)9-11-4-3-8(10)12-9;7-6(8)3-1-5(9)2-4-6/h5,8-9,12H,3-4,6-7H2,1-2H3,(H,18,19,20);3-5H,1-2H3;5H,1-4,9H2.
What are the key properties of 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 651.16 g/mol, XLogP of 6.72, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 159078630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).