[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

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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).