2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

C12H17F3N4O — CID 106621340

IUPAC2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESOCCN(CC1CCCN1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-17-11(18-10)19(6-7-20)8-9-2-1-4-16-9/h3,5,9,16,20H,1-2,4,6-8H2
InChIKeyLRBPVVYIAZDHMI-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.05
Rot. Bonds5

About 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol

2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (PubChem CID 106621340) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
PubChem CID106621340
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC Name2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol
SMILESOCCN(CC1CCCN1)c1nccc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-17-11(18-10)19(6-7-20)8-9-2-1-4-16-9/h3,5,9,16,20H,1-2,4,6-8H2
InChIKeyLRBPVVYIAZDHMI-UHFFFAOYSA-N
XLogP1.05
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[pyrrolidin-2-ylmethyl(quinolin-4-yl)amino]ethanol
CID 106621399
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621336
2-[(1-methylimidazol-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621365
2-[(5-methyl-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621156
N-ethyl-4-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
CID 106621257
3-chloro-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 107061419
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621436
2-[(3,5-difluoro-2-pyridinyl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621171
2-[(6-chloropyridazin-3-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621253
2-[propyl(pyrrolidin-2-ylmethyl)amino]pyrimidine-4-carbonitrile
CID 107552774
1-ethyl-3-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyrazin-2-one
CID 106621403
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106621453

Frequently Asked Questions

What is the IUPAC name of 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol (CID 106621340) is 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is OCCN(CC1CCCN1)c1nccc(C(F)(F)F)n1.
What is the InChIKey of 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is LRBPVVYIAZDHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c13-12(14,15)10-3-5-17-11(18-10)19(6-7-20)8-9-2-1-4-16-9/h3,5,9,16,20H,1-2,4,6-8H2.
What are the key properties of 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol?
2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 290.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[pyrrolidin-2-ylmethyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 106621340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).