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

C30H37Cl3F4N10 — CID 157087858

IUPAC6-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
SMILESCc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H18ClF2N5.C9H8Cl2N4.C6H11F2N/c1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-6(8)3-1-5(9)2-4-6/h7-8,11H,3-6H2,1-2H3,(H,19,20,21);3-4H,1-2H3;5H,1-4,9H2
InChIKeyAEHKPTVAXXWHBA-UHFFFAOYSA-N
MW720.05 g/mol
LogP8.03
Rot. Bonds4

About 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

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 (PubChem CID 157087858) has the molecular formula C30H37Cl3F4N10 and a molecular weight of 720.05 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID157087858
Molecular FormulaC30H37Cl3F4N10
Molecular Weight720.05 g/mol
Exact Mass718.22
IUPAC Name6-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
SMILESCc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H18ClF2N5.C9H8Cl2N4.C6H11F2N/c1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-6(8)3-1-5(9)2-4-6/h7-8,11H,3-6H2,1-2H3,(H,19,20,21);3-4H,1-2H3;5H,1-4,9H2
InChIKeyAEHKPTVAXXWHBA-UHFFFAOYSA-N
XLogP8.03
TPSA125.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.05
LogP ≤ 58.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

N-(4,4-difluorocyclohexyl)-4,6-bis(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
CID 132206708
6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132206859
N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 132206920
N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-6-methylpyrimidin-4-amine
CID 132206937
N-(4,4-difluorocyclohexyl)-6-(difluoromethyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207251
6-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207501
6-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
CID 132207690
4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine
CID 132207842
6-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;hydrochloride
CID 139300045
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine
CID 139300249
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 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)n(-c2nc(Cl)cc(Cl)n2)n1.Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 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?
The InChIKey is AEHKPTVAXXWHBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF2N5.C9H8Cl2N4.C6H11F2N/c1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-5-3-6(2)15(14-5)9-12-7(10)4-8(11)13-9;7-6(8)3-1-5(9)2-4-6/h7-8,11H,3-6H2,1-2H3,(H,19,20,21);3-4H,1-2H3;5H,1-4,9H2.
What are the key properties of 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?
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 has a molecular weight of 720.05 g/mol, XLogP of 8.03, 4 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;4,6-dichloro-2-(3,5-dimethylpyrazol-1-yl)pyrimidine;4,4-difluorocyclohexan-1-amine is sourced from PubChem (CID 157087858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).