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

C14H14ClF3N4S — CID 139300133

IUPAC6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESFCc1csc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H14ClF3N4S/c15-10-5-11(19-8-1-3-14(17,18)4-2-8)22-12(21-10)13-20-9(6-16)7-23-13/h5,7-8H,1-4,6H2,(H,19,21,22)
InChIKeyOVGSUYJOANSXSJ-UHFFFAOYSA-N
MW362.81 g/mol
LogP4.71
Rot. Bonds4

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (PubChem CID 139300133) has the molecular formula C14H14ClF3N4S and a molecular weight of 362.81 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
PubChem CID139300133
Molecular FormulaC14H14ClF3N4S
Molecular Weight362.81 g/mol
Exact Mass362.06
IUPAC Name6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine
SMILESFCc1csc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C14H14ClF3N4S/c15-10-5-11(19-8-1-3-14(17,18)4-2-8)22-12(21-10)13-20-9(6-16)7-23-13/h5,7-8H,1-4,6H2,(H,19,21,22)
InChIKeyOVGSUYJOANSXSJ-UHFFFAOYSA-N
XLogP4.71
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 54.71
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-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine (CID 139300133) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is FCc1csc(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
The InChIKey is OVGSUYJOANSXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4S/c15-10-5-11(19-8-1-3-14(17,18)4-2-8)22-12(21-10)13-20-9(6-16)7-23-13/h5,7-8H,1-4,6H2,(H,19,21,22).
What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine?
6-chloro-N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine has a molecular weight of 362.81 g/mol, XLogP of 4.71, 4 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-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-amine is sourced from PubChem (CID 139300133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).