2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide

C9H10F3N3O2 — CID 140726356

IUPAC2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(C(CCO)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5(2-4-16)8-14-3-1-6(15-8)7(13)17/h1,3,5,16H,2,4H2,(H2,13,17)
InChIKeyMQQYZFDESGYPHR-UHFFFAOYSA-N
MW249.19 g/mol
LogP0.60
Rot. Bonds4

About 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide

2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide (PubChem CID 140726356) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
PubChem CID140726356
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc(C(CCO)C(F)(F)F)n1
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)5(2-4-16)8-14-3-1-6(15-8)7(13)17/h1,3,5,16H,2,4H2,(H2,13,17)
InChIKeyMQQYZFDESGYPHR-UHFFFAOYSA-N
XLogP0.60
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
Pyrimidine dicarboxamide
CID 68833476
2-cyclopropyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]pyrimidine-4-carboxamide
CID 138023749
2-Fluoropyrimidine-4-carboxamide
CID 17804391
Trifluoromethyl-pyrimidine-4-carboxylic acid methoxy-methyl-amide
CID 53404824
N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
CID 58044325
N-(trifluoromethyl)pyrimidine-4-carboxamide
CID 69114206
N-(methoxymethyl)-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 69235676
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008
2-(2,2,2-Trifluoro-1-methoxyethyl)pyrimidine-4-carboxamide
CID 90771686
Piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
CID 110833891
N-(2,2-difluoropropyl)pyrimidine-4-carboxamide
CID 130184398

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide (CID 140726356) is 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide is NC(=O)c1ccnc(C(CCO)C(F)(F)F)n1.
What is the InChIKey of 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?
The InChIKey is MQQYZFDESGYPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)5(2-4-16)8-14-3-1-6(15-8)7(13)17/h1,3,5,16H,2,4H2,(H2,13,17).
What are the key properties of 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide?
2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide has a molecular weight of 249.19 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,1-trifluoro-4-hydroxybutan-2-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 140726356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).