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

C19H23F3N4OS — CID 159025476

IUPAC4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFCc1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H23F3N4OS/c20-11-15-12-28-18(24-15)17-23-14(9-13-1-3-19(21,22)4-2-13)10-16(25-17)26-5-7-27-8-6-26/h10,12-13H,1-9,11H2
InChIKeyJUFPAIXIGXXKFP-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.27
Rot. Bonds5

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

4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (PubChem CID 159025476) has the molecular formula C19H23F3N4OS and a molecular weight of 412.48 g/mol. Its IUPAC name is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
PubChem CID159025476
Molecular FormulaC19H23F3N4OS
Molecular Weight412.48 g/mol
Exact Mass412.15
IUPAC Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFCc1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H23F3N4OS/c20-11-15-12-28-18(24-15)17-23-14(9-13-1-3-19(21,22)4-2-13)10-16(25-17)26-5-7-27-8-6-26/h10,12-13H,1-9,11H2
InChIKeyJUFPAIXIGXXKFP-UHFFFAOYSA-N
XLogP4.27
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.27
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
2-(methoxymethyl)-N-methyl-6-[(3R)-oxolan-3-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 126448409
(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-methyl-1,3-thiazol-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 139300325
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

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (CID 159025476) is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is FCc1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The InChIKey is JUFPAIXIGXXKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N4OS/c20-11-15-12-28-18(24-15)17-23-14(9-13-1-3-19(21,22)4-2-13)10-16(25-17)26-5-7-27-8-6-26/h10,12-13H,1-9,11H2.
What are the key properties of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine has a molecular weight of 412.48 g/mol, XLogP of 4.27, 5 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-(fluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159025476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).