[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol

C15H18F2N4OS — CID 139300116

IUPAC[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
SMILESCc1csc(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H18F2N4OS/c1-9-8-23-14(18-9)13-20-11(7-22)6-12(21-13)19-10-2-4-15(16,17)5-3-10/h6,8,10,22H,2-5,7H2,1H3,(H,19,20,21)
InChIKeyRNZVJKXCOKRWDX-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.39
Rot. Bonds4

About [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol

[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol (PubChem CID 139300116) has the molecular formula C15H18F2N4OS and a molecular weight of 340.40 g/mol. Its IUPAC name is [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
PubChem CID139300116
Molecular FormulaC15H18F2N4OS
Molecular Weight340.40 g/mol
Exact Mass340.12
IUPAC Name[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol
SMILESCc1csc(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
InChIInChI=1S/C15H18F2N4OS/c1-9-8-23-14(18-9)13-20-11(7-22)6-12(21-13)19-10-2-4-15(16,17)5-3-10/h6,8,10,22H,2-5,7H2,1H3,(H,19,20,21)
InChIKeyRNZVJKXCOKRWDX-UHFFFAOYSA-N
XLogP3.39
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol (CID 139300116) is [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol is Cc1csc(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.
What is the InChIKey of [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
The InChIKey is RNZVJKXCOKRWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4OS/c1-9-8-23-14(18-9)13-20-11(7-22)6-12(21-13)19-10-2-4-15(16,17)5-3-10/h6,8,10,22H,2-5,7H2,1H3,(H,19,20,21).
What are the key properties of [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol?
[6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol has a molecular weight of 340.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4,4-difluorocyclohexyl)amino]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 139300116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).