6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

C14H17ClFN5 — CID 139300283

IUPAC6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C14H17ClFN5/c1-9-6-7-21(20-9)14-18-12(15)8-13(19-14)17-11-4-2-10(16)3-5-11/h6-8,10-11H,2-5H2,1H3,(H,17,18,19)
InChIKeyICBQEIKWEQKRFW-UHFFFAOYSA-N
MW309.78 g/mol
LogP3.32
Rot. Bonds3

About 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine

6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (PubChem CID 139300283) has the molecular formula C14H17ClFN5 and a molecular weight of 309.78 g/mol. Its IUPAC name is 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
PubChem CID139300283
Molecular FormulaC14H17ClFN5
Molecular Weight309.78 g/mol
Exact Mass309.12
IUPAC Name6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine
SMILESCc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1
InChIInChI=1S/C14H17ClFN5/c1-9-6-7-21(20-9)14-18-12(15)8-13(19-14)17-11-4-2-10(16)3-5-11/h6-8,10-11H,2-5H2,1H3,(H,17,18,19)
InChIKeyICBQEIKWEQKRFW-UHFFFAOYSA-N
XLogP3.32
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 53.32
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-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine (CID 139300283) is 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
The InChIKey is ICBQEIKWEQKRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN5/c1-9-6-7-21(20-9)14-18-12(15)8-13(19-14)17-11-4-2-10(16)3-5-11/h6-8,10-11H,2-5H2,1H3,(H,17,18,19).
What are the key properties of 6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine?
6-chloro-N-(4-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine has a molecular weight of 309.78 g/mol, XLogP of 3.32, 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-fluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).