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

C19H21F5N4OS — CID 159347529

IUPAC4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFC1(F)CCC(Cc2cc(N3CCOCC3)nc(-c3nc(C(F)(F)F)cs3)n2)CC1
InChIInChI=1S/C19H21F5N4OS/c20-18(21)3-1-12(2-4-18)9-13-10-15(28-5-7-29-8-6-28)27-16(25-13)17-26-14(11-30-17)19(22,23)24/h10-12H,1-9H2
InChIKeyLGXLXJNJFOFSHS-UHFFFAOYSA-N
MW448.46 g/mol
LogP4.82
Rot. Bonds4

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

4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (PubChem CID 159347529) has the molecular formula C19H21F5N4OS and a molecular weight of 448.46 g/mol. Its IUPAC name is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
PubChem CID159347529
Molecular FormulaC19H21F5N4OS
Molecular Weight448.46 g/mol
Exact Mass448.14
IUPAC Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFC1(F)CCC(Cc2cc(N3CCOCC3)nc(-c3nc(C(F)(F)F)cs3)n2)CC1
InChIInChI=1S/C19H21F5N4OS/c20-18(21)3-1-12(2-4-18)9-13-10-15(28-5-7-29-8-6-28)27-16(25-13)17-26-14(11-30-17)19(22,23)24/h10-12H,1-9H2
InChIKeyLGXLXJNJFOFSHS-UHFFFAOYSA-N
XLogP4.82
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-Aminocyclobutyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-2-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 91771013
(2S)-4-(2,6-diethylpyrimidin-4-yl)-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 164642592
N-(4,4-difluorocyclohexyl)-4-(4-methyl-1,3-thiazol-2-yl)-6-morpholin-4-ylpyrimidin-2-amine
CID 132206699
N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)-6-(1-morpholin-4-ylethyl)pyrimidin-4-amine
CID 132207104
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-yl]morpholine
CID 132207328
6-cyclobutyl-N-(4,4-difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 139300127
N-(4,4-difluorocyclohexyl)-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]-6-(oxan-4-yl)pyrimidin-4-amine
CID 139320041
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 157799196
4-[6-[(4,4-Difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
CID 158575652
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-propan-2-yl-1,3-thiazole
CID 158823533
1-[2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-morpholin-4-ylpyrimidin-2-yl]-1,3-thiazol-4-yl]ethanol
CID 158827415
2-[4-[(4,4-Difluorocyclohexyl)methyl]-6-methylpyrimidin-2-yl]-4-methyl-1,3-thiazole
CID 158892163

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (CID 159347529) is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is FC1(F)CCC(Cc2cc(N3CCOCC3)nc(-c3nc(C(F)(F)F)cs3)n2)CC1.
What is the InChIKey of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The InChIKey is LGXLXJNJFOFSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F5N4OS/c20-18(21)3-1-12(2-4-18)9-13-10-15(28-5-7-29-8-6-28)27-16(25-13)17-26-14(11-30-17)19(22,23)24/h10-12H,1-9H2.
What are the key properties of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine has a molecular weight of 448.46 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159347529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).