6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C14H16ClFN4S — CID 139300284

IUPAC6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)cc(NC3CCCCC3F)n2)n1
InChIInChI=1S/C14H16ClFN4S/c1-8-7-21-14(17-8)13-19-11(15)6-12(20-13)18-10-5-3-2-4-9(10)16/h6-7,9-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyCLQZQJGPSNSSRT-UHFFFAOYSA-N
MW326.83 g/mol
LogP4.25
Rot. Bonds3

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

6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 139300284) has the molecular formula C14H16ClFN4S and a molecular weight of 326.83 g/mol. Its IUPAC name is 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID139300284
Molecular FormulaC14H16ClFN4S
Molecular Weight326.83 g/mol
Exact Mass326.08
IUPAC Name6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCc1csc(-c2nc(Cl)cc(NC3CCCCC3F)n2)n1
InChIInChI=1S/C14H16ClFN4S/c1-8-7-21-14(17-8)13-19-11(15)6-12(20-13)18-10-5-3-2-4-9(10)16/h6-7,9-10H,2-5H2,1H3,(H,18,19,20)
InChIKeyCLQZQJGPSNSSRT-UHFFFAOYSA-N
XLogP4.25
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 139300284) is 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is Cc1csc(-c2nc(Cl)cc(NC3CCCCC3F)n2)n1.
What is the InChIKey of 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is CLQZQJGPSNSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN4S/c1-8-7-21-14(17-8)13-19-11(15)6-12(20-13)18-10-5-3-2-4-9(10)16/h6-7,9-10H,2-5H2,1H3,(H,18,19,20).
What are the key properties of 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 326.83 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-fluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 139300284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).