2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide

C8H8F3N3O2 — CID 140726353

IUPAC2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc([C@H](CO)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4(3-15)7-13-2-1-5(14-7)6(12)16/h1-2,4,15H,3H2,(H2,12,16)/t4-/m0/s1
InChIKeyLUWDZSWGZMELOW-BYPYZUCNSA-N
MW235.16 g/mol
LogP0.21
Rot. Bonds3

About 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide

2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide (PubChem CID 140726353) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide
PubChem CID140726353
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide
SMILESNC(=O)c1ccnc([C@H](CO)C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)4(3-15)7-13-2-1-5(14-7)6(12)16/h1-2,4,15H,3H2,(H2,12,16)/t4-/m0/s1
InChIKeyLUWDZSWGZMELOW-BYPYZUCNSA-N
XLogP0.21
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrimidine-4-carboxamide
CID 17861762
2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
2-Isopropyl-4-pyrimidinecarbaldehyde
CID 28065128
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
4-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, hydrazide
CID 90100957
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide (CID 140726353) is 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide is NC(=O)c1ccnc([C@H](CO)C(F)(F)F)n1.
What is the InChIKey of 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
The InChIKey is LUWDZSWGZMELOW-BYPYZUCNSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)4(3-15)7-13-2-1-5(14-7)6(12)16/h1-2,4,15H,3H2,(H2,12,16)/t4-/m0/s1.
What are the key properties of 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide?
2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 140726353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).