[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol

C15H15ClF3N5O — CID 136531929

IUPAC[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1
InChIInChI=1S/C15H15ClF3N5O/c16-12-5-9(15(17,18)19)6-21-13(12)24-4-2-10(7-24)22-14-20-3-1-11(8-25)23-14/h1,3,5-6,10,25H,2,4,7-8H2,(H,20,22,23)
InChIKeyYTJVNYLSLCDSRJ-UHFFFAOYSA-N
MW373.77 g/mol
LogP2.73
Rot. Bonds4

About [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol

[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol (PubChem CID 136531929) has the molecular formula C15H15ClF3N5O and a molecular weight of 373.77 g/mol. Its IUPAC name is [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
PubChem CID136531929
Molecular FormulaC15H15ClF3N5O
Molecular Weight373.77 g/mol
Exact Mass373.09
IUPAC Name[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1
InChIInChI=1S/C15H15ClF3N5O/c16-12-5-9(15(17,18)19)6-21-13(12)24-4-2-10(7-24)22-14-20-3-1-11(8-25)23-14/h1,3,5-6,10,25H,2,4,7-8H2,(H,20,22,23)
InChIKeyYTJVNYLSLCDSRJ-UHFFFAOYSA-N
XLogP2.73
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.77
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-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

N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133419854
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
CID 154741364
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
3-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 110208547
3-tert-butyl-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133493533
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
CID 71643949
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897223
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]cyclopropanesulfonamide
CID 163344238
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904106

Frequently Asked Questions

What is the IUPAC name of [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol (CID 136531929) is [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol is OCc1ccnc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)n1.
What is the InChIKey of [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The InChIKey is YTJVNYLSLCDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N5O/c16-12-5-9(15(17,18)19)6-21-13(12)24-4-2-10(7-24)22-14-20-3-1-11(8-25)23-14/h1,3,5-6,10,25H,2,4,7-8H2,(H,20,22,23).
What are the key properties of [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
[2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol has a molecular weight of 373.77 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 136531929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).