1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C17H19F3N4O — CID 134704186

IUPAC1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(Cc1cccc(C(F)(F)F)c1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C17H19F3N4O/c1-23(10-12-3-2-4-13(9-12)17(18,19)20)16-21-7-5-15(22-16)24-8-6-14(25)11-24/h2-5,7,9,14,25H,6,8,10-11H2,1H3
InChIKeyUZPAOZCTAWGZGF-UHFFFAOYSA-N
MW352.36 g/mol
LogP2.70
Rot. Bonds4

About 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 134704186) has the molecular formula C17H19F3N4O and a molecular weight of 352.36 g/mol. Its IUPAC name is 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID134704186
Molecular FormulaC17H19F3N4O
Molecular Weight352.36 g/mol
Exact Mass352.15
IUPAC Name1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCN(Cc1cccc(C(F)(F)F)c1)c1nccc(N2CCC(O)C2)n1
InChIInChI=1S/C17H19F3N4O/c1-23(10-12-3-2-4-13(9-12)17(18,19)20)16-21-7-5-15(22-16)24-8-6-14(25)11-24/h2-5,7,9,14,25H,6,8,10-11H2,1H3
InChIKeyUZPAOZCTAWGZGF-UHFFFAOYSA-N
XLogP2.70
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 134704186) is 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CN(Cc1cccc(C(F)(F)F)c1)c1nccc(N2CCC(O)C2)n1.
What is the InChIKey of 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is UZPAOZCTAWGZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N4O/c1-23(10-12-3-2-4-13(9-12)17(18,19)20)16-21-7-5-15(22-16)24-8-6-14(25)11-24/h2-5,7,9,14,25H,6,8,10-11H2,1H3.
What are the key properties of 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 352.36 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[[3-(trifluoromethyl)phenyl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 134704186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).