N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine

C18H22F2N4OS — CID 159686144

IUPACN-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)c1nc(-c2nc(C)cs2)nc(NC2CCC(F)(F)CC2)c1OC
InChIInChI=1S/C18H22F2N4OS/c1-10(2)13-14(25-4)15(22-12-5-7-18(19,20)8-6-12)24-16(23-13)17-21-11(3)9-26-17/h9,12H,1,5-8H2,2-4H3,(H,22,23,24)
InChIKeyMTJBZDLNKPCYAU-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.94
Rot. Bonds5

About N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine

N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine (PubChem CID 159686144) has the molecular formula C18H22F2N4OS and a molecular weight of 380.46 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
PubChem CID159686144
Molecular FormulaC18H22F2N4OS
Molecular Weight380.46 g/mol
Exact Mass380.15
IUPAC NameN-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
SMILESC=C(C)c1nc(-c2nc(C)cs2)nc(NC2CCC(F)(F)CC2)c1OC
InChIInChI=1S/C18H22F2N4OS/c1-10(2)13-14(25-4)15(22-12-5-7-18(19,20)8-6-12)24-16(23-13)17-21-11(3)9-26-17/h9,12H,1,5-8H2,2-4H3,(H,22,23,24)
InChIKeyMTJBZDLNKPCYAU-UHFFFAOYSA-N
XLogP4.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine
CID 134524539
N-(4,4-difluorocyclohexyl)-6-(1-ethoxyethenyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300111
1-[6-[(4,4-Difluorocyclohexyl)amino]-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]ethanone
CID 139300206
1-[6-[(4,4-Difluorocyclohexyl)amino]-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]ethanol
CID 139300469

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine (CID 159686144) is N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine is C=C(C)c1nc(-c2nc(C)cs2)nc(NC2CCC(F)(F)CC2)c1OC.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
The InChIKey is MTJBZDLNKPCYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N4OS/c1-10(2)13-14(25-4)15(22-12-5-7-18(19,20)8-6-12)24-16(23-13)17-21-11(3)9-26-17/h9,12H,1,5-8H2,2-4H3,(H,22,23,24).
What are the key properties of N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine?
N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine has a molecular weight of 380.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-5-methoxy-2-(4-methyl-1,3-thiazol-2-yl)-6-prop-1-en-2-ylpyrimidin-4-amine is sourced from PubChem (CID 159686144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).