N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine

C16H20F2N4S — CID 142404557

IUPACN-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C16H20F2N4S/c1-3-11-8-13(20-12-4-6-16(17,18)7-5-12)22-14(21-11)15-19-10(2)9-23-15/h8-9,12H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyPEJQUESZEFDDSE-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.46
Rot. Bonds4

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

N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (PubChem CID 142404557) has the molecular formula C16H20F2N4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
PubChem CID142404557
Molecular FormulaC16H20F2N4S
Molecular Weight338.43 g/mol
Exact Mass338.14
IUPAC NameN-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
SMILESCCc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1
InChIInChI=1S/C16H20F2N4S/c1-3-11-8-13(20-12-4-6-16(17,18)7-5-12)22-14(21-11)15-19-10(2)9-23-15/h8-9,12H,3-7H2,1-2H3,(H,20,21,22)
InChIKeyPEJQUESZEFDDSE-UHFFFAOYSA-N
XLogP4.46
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine (CID 142404557) is N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is CCc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C)cs2)n1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
The InChIKey is PEJQUESZEFDDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F2N4S/c1-3-11-8-13(20-12-4-6-16(17,18)7-5-12)22-14(21-11)15-19-10(2)9-23-15/h8-9,12H,3-7H2,1-2H3,(H,20,21,22).
What are the key properties of N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine has a molecular weight of 338.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-6-ethyl-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 142404557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).