4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide

C15H18F5N3O2 — CID 178036134

IUPAC4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@H](Oc1cc(CNC(=O)C2CCC(F)(F)CC2)ncn1)C(F)(F)F
InChIInChI=1S/C15H18F5N3O2/c1-9(15(18,19)20)25-12-6-11(22-8-23-12)7-21-13(24)10-2-4-14(16,17)5-3-10/h6,8-10H,2-5,7H2,1H3,(H,21,24)/t9-/m1/s1
InChIKeyZVTKIPMESNRBSM-SECBINFHSA-N
MW367.32 g/mol
LogP3.25
Rot. Bonds5

About 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide (PubChem CID 178036134) has the molecular formula C15H18F5N3O2 and a molecular weight of 367.32 g/mol. Its IUPAC name is 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide
PubChem CID178036134
Molecular FormulaC15H18F5N3O2
Molecular Weight367.32 g/mol
Exact Mass367.13
IUPAC Name4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide
SMILESC[C@@H](Oc1cc(CNC(=O)C2CCC(F)(F)CC2)ncn1)C(F)(F)F
InChIInChI=1S/C15H18F5N3O2/c1-9(15(18,19)20)25-12-6-11(22-8-23-12)7-21-13(24)10-2-4-14(16,17)5-3-10/h6,8-10H,2-5,7H2,1H3,(H,21,24)/t9-/m1/s1
InChIKeyZVTKIPMESNRBSM-SECBINFHSA-N
XLogP3.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide with MolForge

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Related Compounds

3-(difluoromethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclobutane-1-carboxamide
CID 178036078
3-(trifluoromethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 178036106
ethane;1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-yl]methyl]urea
CID 171787486
N-[(6-methylpyrimidin-4-yl)methyl]cyclobutanecarboxamide
CID 122263469
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]cyclohexanecarboxamide
CID 122262450
N-[(6-phenylpyrimidin-4-yl)methyl]cyclopentanecarboxamide
CID 122261740
1-[3-(trifluoromethyl)cyclobutyl]-3-[[2-(1,1,1-trifluoropropan-2-yloxy)-4-pyridinyl]methyl]urea
CID 168892368
1-acetyl-N-[[6-(4-fluorophenyl)pyrimidin-4-yl]methyl]piperidine-4-carboxamide
CID 122262943
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666
1-acetyl-N-[(6-phenylpyrimidin-4-yl)methyl]piperidine-4-carboxamide
CID 122261947
N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]cyclohexanecarboxamide
CID 142586783

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide (CID 178036134) is 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide is C[C@@H](Oc1cc(CNC(=O)C2CCC(F)(F)CC2)ncn1)C(F)(F)F.
What is the InChIKey of 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide?
The InChIKey is ZVTKIPMESNRBSM-SECBINFHSA-N. The full InChI is InChI=1S/C15H18F5N3O2/c1-9(15(18,19)20)25-12-6-11(22-8-23-12)7-21-13(24)10-2-4-14(16,17)5-3-10/h6,8-10H,2-5,7H2,1H3,(H,21,24)/t9-/m1/s1.
What are the key properties of 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide has a molecular weight of 367.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxypyrimidin-4-yl]methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 178036134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).