[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol

C15H16F2N4O — CID 154741364

IUPAC[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NC2CCN(c3ccc(F)cc3F)C2)n1
InChIInChI=1S/C15H16F2N4O/c16-10-1-2-14(13(17)7-10)21-6-4-11(8-21)19-15-18-5-3-12(9-22)20-15/h1-3,5,7,11,22H,4,6,8-9H2,(H,18,19,20)
InChIKeyROPYORWRWFEFSS-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.94
Rot. Bonds4

About [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol

[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol (PubChem CID 154741364) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
PubChem CID154741364
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol
SMILESOCc1ccnc(NC2CCN(c3ccc(F)cc3F)C2)n1
InChIInChI=1S/C15H16F2N4O/c16-10-1-2-14(13(17)7-10)21-6-4-11(8-21)19-15-18-5-3-12(9-22)20-15/h1-3,5,7,11,22H,4,6,8-9H2,(H,18,19,20)
InChIKeyROPYORWRWFEFSS-UHFFFAOYSA-N
XLogP1.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The IUPAC name of [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol (CID 154741364) is [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol is OCc1ccnc(NC2CCN(c3ccc(F)cc3F)C2)n1.
What is the InChIKey of [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
The InChIKey is ROPYORWRWFEFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-10-1-2-14(13(17)7-10)21-6-4-11(8-21)19-15-18-5-3-12(9-22)20-15/h1-3,5,7,11,22H,4,6,8-9H2,(H,18,19,20).
What are the key properties of [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol?
[2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol has a molecular weight of 306.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2,4-difluorophenyl)pyrrolidin-3-yl]amino]pyrimidin-4-yl]methanol is sourced from PubChem (CID 154741364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).