(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

C14H18F3N3O — CID 72892503

IUPAC(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H18F3N3O/c1-9-7-20(8-13(9,21)10-3-2-4-10)12-18-6-5-11(19-12)14(15,16)17/h5-6,9-10,21H,2-4,7-8H2,1H3/t9-,13+/m1/s1
InChIKeyJCLPWTINDHDXAW-RNCFNFMXSA-N
MW301.31 g/mol
LogP2.48
Rot. Bonds2

About (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol

(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (PubChem CID 72892503) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
PubChem CID72892503
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
SMILESC[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@]1(O)C1CCC1
InChIInChI=1S/C14H18F3N3O/c1-9-7-20(8-13(9,21)10-3-2-4-10)12-18-6-5-11(19-12)14(15,16)17/h5-6,9-10,21H,2-4,7-8H2,1H3/t9-,13+/m1/s1
InChIKeyJCLPWTINDHDXAW-RNCFNFMXSA-N
XLogP2.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol 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

3-(Piperidin-1-ylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 70767573
[(3aS,6aS)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
CID 72880151
2-[(3R)-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-yl]propane-1,3-diol
CID 95787424
2-[(2S)-1-(4-methylpyrimidin-2-yl)pyrrolidin-2-yl]propan-2-ol
CID 97607801
(3S,4S)-4-cyclopropyl-3-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-ol
CID 164634171
5-Cyclohexyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 53614215
1-[[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclopentan-1-ol
CID 61223875
3-Methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 62301661
1-[[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 62404921
1-[[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]methyl]cycloheptan-1-ol
CID 64417036
4,4-Dimethyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118275
4-Methyl-1-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]cyclohexan-1-ol
CID 65118311

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol (CID 72892503) is (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
The InChIKey is JCLPWTINDHDXAW-RNCFNFMXSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-9-7-20(8-13(9,21)10-3-2-4-10)12-18-6-5-11(19-12)14(15,16)17/h5-6,9-10,21H,2-4,7-8H2,1H3/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol?
(3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol has a molecular weight of 301.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-cyclobutyl-4-methyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 72892503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).