2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine

C17H20F2N4OS — CID 139300126

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C3CC3)cs2)n1
InChIInChI=1S/C17H20F2N4OS/c1-24-14-8-13(20-11-4-6-17(18,19)7-5-11)22-15(23-14)16-21-12(9-25-16)10-2-3-10/h8-11H,2-7H2,1H3,(H,20,22,23)
InChIKeyOMAOHFOISMFXSF-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.48
Rot. Bonds5

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine

2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine (PubChem CID 139300126) has the molecular formula C17H20F2N4OS and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine
PubChem CID139300126
Molecular FormulaC17H20F2N4OS
Molecular Weight366.44 g/mol
Exact Mass366.13
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine
SMILESCOc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C3CC3)cs2)n1
InChIInChI=1S/C17H20F2N4OS/c1-24-14-8-13(20-11-4-6-17(18,19)7-5-11)22-15(23-14)16-21-12(9-25-16)10-2-3-10/h8-11H,2-7H2,1H3,(H,20,22,23)
InChIKeyOMAOHFOISMFXSF-UHFFFAOYSA-N
XLogP4.48
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine (CID 139300126) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine is COc1cc(NC2CCC(F)(F)CC2)nc(-c2nc(C3CC3)cs2)n1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine?
The InChIKey is OMAOHFOISMFXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4OS/c1-24-14-8-13(20-11-4-6-17(18,19)7-5-11)22-15(23-14)16-21-12(9-25-16)10-2-3-10/h8-11H,2-7H2,1H3,(H,20,22,23).
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine?
2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine has a molecular weight of 366.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)-N-(4,4-difluorocyclohexyl)-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 139300126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).