6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

C14H13ClF5N5 — CID 139300550

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C14H13ClF5N5/c15-10-7-11(21-8-1-4-13(16,17)5-2-8)23-12(22-10)25-6-3-9(24-25)14(18,19)20/h3,6-8H,1-2,4-5H2,(H,21,22,23)
InChIKeyRIIJLFZWKNEOEW-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.32
Rot. Bonds3

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine

6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (PubChem CID 139300550) has the molecular formula C14H13ClF5N5 and a molecular weight of 381.74 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
PubChem CID139300550
Molecular FormulaC14H13ClF5N5
Molecular Weight381.74 g/mol
Exact Mass381.08
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
SMILESFC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C14H13ClF5N5/c15-10-7-11(21-8-1-4-13(16,17)5-2-8)23-12(22-10)25-6-3-9(24-25)14(18,19)20/h3,6-8H,1-2,4-5H2,(H,21,22,23)
InChIKeyRIIJLFZWKNEOEW-UHFFFAOYSA-N
XLogP4.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine (CID 139300550) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is FC1(F)CCC(Nc2cc(Cl)nc(-n3ccc(C(F)(F)F)n3)n2)CC1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
The InChIKey is RIIJLFZWKNEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF5N5/c15-10-7-11(21-8-1-4-13(16,17)5-2-8)23-12(22-10)25-6-3-9(24-25)14(18,19)20/h3,6-8H,1-2,4-5H2,(H,21,22,23).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine has a molecular weight of 381.74 g/mol, XLogP of 4.32, 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-difluorocyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 139300550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).