2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

C14H14F3N5O2 — CID 170610909

IUPAC2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-6-10(12(23)19-9-2-1-5-24-7-9)20-13(21-11)22-4-3-18-8-22/h3-4,6,8-9H,1-2,5,7H2,(H,19,23)/t9-/m1/s1
InChIKeyCVJCMCCIRIWQFK-SECBINFHSA-N
MW341.29 g/mol
LogP1.59
Rot. Bonds3

About 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 170610909) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID170610909
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC Name2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)11-6-10(12(23)19-9-2-1-5-24-7-9)20-13(21-11)22-4-3-18-8-22/h3-4,6,8-9H,1-2,5,7H2,(H,19,23)/t9-/m1/s1
InChIKeyCVJCMCCIRIWQFK-SECBINFHSA-N
XLogP1.59
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 170610909) is 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(N[C@@H]1CCCOC1)c1cc(C(F)(F)F)nc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is CVJCMCCIRIWQFK-SECBINFHSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)11-6-10(12(23)19-9-2-1-5-24-7-9)20-13(21-11)22-4-3-18-8-22/h3-4,6,8-9H,1-2,5,7H2,(H,19,23)/t9-/m1/s1.
What are the key properties of 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(3R)-oxan-3-yl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 170610909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).