N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

C16H21F2N5 — CID 44824431

IUPACN-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H21F2N5/c1-10-12(9-23(2)22-10)13-8-14(15(17)18)21-16(20-13)19-11-6-4-3-5-7-11/h8-9,11,15H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyIDMFMGQEHCYQAG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.87
Rot. Bonds4

About N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine

N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 44824431) has the molecular formula C16H21F2N5 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID44824431
Molecular FormulaC16H21F2N5
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC NameN-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1nn(C)cc1-c1cc(C(F)F)nc(NC2CCCCC2)n1
InChIInChI=1S/C16H21F2N5/c1-10-12(9-23(2)22-10)13-8-14(15(17)18)21-16(20-13)19-11-6-4-3-5-7-11/h8-9,11,15H,3-7H2,1-2H3,(H,19,20,21)
InChIKeyIDMFMGQEHCYQAG-UHFFFAOYSA-N
XLogP3.87
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Casein Kinase inhibitor A51
CID 126558497
5-Phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 719986
Khk-IN-3
CID 155385439
Pyrazolo[1,5-b]pyridazine deriv. 35
CID 6539377
Pyrazolo[1,5-b]pyridazine deriv. 37
CID 6539379
Casein Kinase inhibitor A86
CID 134812748
N-cyclopropyl-4-pyrazolo(1,5-b)pyridazin-3-ylpyrimidin-2-amine
CID 6918710
Dsm-74
CID 25263414
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
Pyrazolo[1,5-b]pyridazine deriv. 16
CID 6539359
N-(4-propan-2-ylphenyl)-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
CID 6539364
Pyrazolo[1,5-b]pyridazine deriv. 23
CID 6539365

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine (CID 44824431) is N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is Cc1nn(C)cc1-c1cc(C(F)F)nc(NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is IDMFMGQEHCYQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N5/c1-10-12(9-23(2)22-10)13-8-14(15(17)18)21-16(20-13)19-11-6-4-3-5-7-11/h8-9,11,15H,3-7H2,1-2H3,(H,19,20,21).
What are the key properties of N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine?
N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(difluoromethyl)-6-(1,3-dimethylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 44824431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).