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

C15H19ClFN5 — CID 139300249

IUPAC4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2cc(Cl)nc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C15H19ClFN5/c1-9-7-10(2)22(21-9)14-8-13(16)19-15(20-14)18-12-5-3-11(17)4-6-12/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyRAOINXFAHYUHHI-UHFFFAOYSA-N
MW323.80 g/mol
LogP3.63
Rot. Bonds3

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

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine (PubChem CID 139300249) has the molecular formula C15H19ClFN5 and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine
PubChem CID139300249
Molecular FormulaC15H19ClFN5
Molecular Weight323.80 g/mol
Exact Mass323.13
IUPAC Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine
SMILESCc1cc(C)n(-c2cc(Cl)nc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C15H19ClFN5/c1-9-7-10(2)22(21-9)14-8-13(16)19-15(20-14)18-12-5-3-11(17)4-6-12/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyRAOINXFAHYUHHI-UHFFFAOYSA-N
XLogP3.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine (CID 139300249) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine is Cc1cc(C)n(-c2cc(Cl)nc(NC3CCC(F)CC3)n2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
The InChIKey is RAOINXFAHYUHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClFN5/c1-9-7-10(2)22(21-9)14-8-13(16)19-15(20-14)18-12-5-3-11(17)4-6-12/h7-8,11-12H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine?
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine has a molecular weight of 323.80 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)pyrimidin-2-amine is sourced from PubChem (CID 139300249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).