[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

C11H15F3N4O — CID 106772776

IUPAC[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-4-9(17-10(16-8)11(12,13)14)18-3-2-7(5-18)6-19/h4,7,19H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyRLHMAOMSLIHXKK-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.36
Rot. Bonds3

About [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol

[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (PubChem CID 106772776) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
PubChem CID106772776
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol
SMILESCNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-15-8-4-9(17-10(16-8)11(12,13)14)18-3-2-7(5-18)6-19/h4,7,19H,2-3,5-6H2,1H3,(H,15,16,17)
InChIKeyRLHMAOMSLIHXKK-UHFFFAOYSA-N
XLogP1.36
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol 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

2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 165129774
(3R)-1-[6-amino-2-(diethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 50978922
2-[[4-(Hydroxymethyl)-1-[6-(propan-2-ylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl-methylamino]ethanol
CID 168457007
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456345
1-[2-Amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456346
(3R)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 122456391
[1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methanol;6-(3,3-difluoropyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 122456401
6-(3,3-difluoropyrrolidin-1-yl)-4-N-methylpyrimidine-2,4-diamine
CID 122456402
6-(3,3-difluoropyrrolidin-1-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 122456426
(3R)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456427
1-[2-Amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456428
(3S)-1-[2-amino-6-(methylamino)pyrimidin-4-yl]-5,5-difluoropiperidin-3-ol
CID 122456449

Frequently Asked Questions

What is the IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol (CID 106772776) is [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is CNc1cc(N2CCC(CO)C2)nc(C(F)(F)F)n1.
What is the InChIKey of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
The InChIKey is RLHMAOMSLIHXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-15-8-4-9(17-10(16-8)11(12,13)14)18-3-2-7(5-18)6-19/h4,7,19H,2-3,5-6H2,1H3,(H,15,16,17).
What are the key properties of [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol?
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol has a molecular weight of 276.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 106772776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).