6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

C33H41ClF4N10 — CID 158844064

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C3CC3)n2)n1
InChIInChI=1S/C18H23F2N5.C15H18ClF2N5/c1-11-9-12(2)25(24-11)17-22-15(13-3-4-13)10-16(23-17)21-14-5-7-18(19,20)8-6-14;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23);7-8,11H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyIYPIQVUTPPDQHN-UHFFFAOYSA-N
MW689.21 g/mol
LogP8.07
Rot. Bonds7

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 158844064) has the molecular formula C33H41ClF4N10 and a molecular weight of 689.21 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID158844064
Molecular FormulaC33H41ClF4N10
Molecular Weight689.21 g/mol
Exact Mass688.31
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C3CC3)n2)n1
InChIInChI=1S/C18H23F2N5.C15H18ClF2N5/c1-11-9-12(2)25(24-11)17-22-15(13-3-4-13)10-16(23-17)21-14-5-7-18(19,20)8-6-14;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23);7-8,11H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyIYPIQVUTPPDQHN-UHFFFAOYSA-N
XLogP8.07
TPSA111.26 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.21
LogP ≤ 58.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

2-(3-cyclopropyl-5-methylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132206649
2-[5-[2-[2-(3-bromo-5-methylpyrazol-1-yl)-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]ethyl]-3-cyclopropylpyrazol-1-yl]-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 132206663
6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132206860
4-cyclopropyl-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
CID 139300817
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-(3-bromo-5-methylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;cyclopropylboronic acid;2-(3-cyclopropyl-5-methylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 158165482
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;5-cyclopropyl-1H-pyrazole;2-(3-cyclopropylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine
CID 158965312
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 159038534
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
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
2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-methyl-2-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-amine;5-propan-2-yl-1H-pyrazole
CID 159473689

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine (CID 158844064) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C3CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is IYPIQVUTPPDQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5.C15H18ClF2N5/c1-11-9-12(2)25(24-11)17-22-15(13-3-4-13)10-16(23-17)21-14-5-7-18(19,20)8-6-14;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11/h9-10,13-14H,3-8H2,1-2H3,(H,21,22,23);7-8,11H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 689.21 g/mol, XLogP of 8.07, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;6-cyclopropyl-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 158844064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).