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

C19H22F4N4OS — CID 158575652

IUPAC4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H22F4N4OS/c20-16(21)14-11-29-18(25-14)17-24-13(9-12-1-3-19(22,23)4-2-12)10-15(26-17)27-5-7-28-8-6-27/h10-12,16H,1-9H2
InChIKeyHSPWFKWYZIDCHL-UHFFFAOYSA-N
MW430.47 g/mol
LogP4.74
Rot. Bonds5

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

4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (PubChem CID 158575652) has the molecular formula C19H22F4N4OS and a molecular weight of 430.47 g/mol. Its IUPAC name is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
PubChem CID158575652
Molecular FormulaC19H22F4N4OS
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC Name4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1
InChIInChI=1S/C19H22F4N4OS/c20-16(21)14-11-29-18(25-14)17-24-13(9-12-1-3-19(22,23)4-2-12)10-15(26-17)27-5-7-28-8-6-27/h10-12,16H,1-9H2
InChIKeyHSPWFKWYZIDCHL-UHFFFAOYSA-N
XLogP4.74
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine (CID 158575652) is 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is FC(F)c1csc(-c2nc(CC3CCC(F)(F)CC3)cc(N3CCOCC3)n2)n1.
What is the InChIKey of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
The InChIKey is HSPWFKWYZIDCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F4N4OS/c20-16(21)14-11-29-18(25-14)17-24-13(9-12-1-3-19(22,23)4-2-12)10-15(26-17)27-5-7-28-8-6-27/h10-12,16H,1-9H2.
What are the key properties of 4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine?
4-[6-[(4,4-difluorocyclohexyl)methyl]-2-[4-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine has a molecular weight of 430.47 g/mol, XLogP of 4.74, 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-(difluoromethyl)-1,3-thiazol-2-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 158575652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).