[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol

C15H23FN4O — CID 171359701

IUPAC[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCC(Nc2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C15H23FN4O/c16-13-9-17-15(19-14(13)20-6-1-2-7-20)18-12-5-3-4-11(8-12)10-21/h9,11-12,21H,1-8,10H2,(H,17,18,19)
InChIKeyUBBKYGOPUUTCGD-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.18
Rot. Bonds4

About [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol

[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol (PubChem CID 171359701) has the molecular formula C15H23FN4O and a molecular weight of 294.37 g/mol. Its IUPAC name is [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol
PubChem CID171359701
Molecular FormulaC15H23FN4O
Molecular Weight294.37 g/mol
Exact Mass294.19
IUPAC Name[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol
SMILESOCC1CCCC(Nc2ncc(F)c(N3CCCC3)n2)C1
InChIInChI=1S/C15H23FN4O/c16-13-9-17-15(19-14(13)20-6-1-2-7-20)18-12-5-3-4-11(8-12)10-21/h9,11-12,21H,1-8,10H2,(H,17,18,19)
InChIKeyUBBKYGOPUUTCGD-UHFFFAOYSA-N
XLogP2.18
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The IUPAC name of [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol (CID 171359701) is [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol is OCC1CCCC(Nc2ncc(F)c(N3CCCC3)n2)C1.
What is the InChIKey of [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol?
The InChIKey is UBBKYGOPUUTCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4O/c16-13-9-17-15(19-14(13)20-6-1-2-7-20)18-12-5-3-4-11(8-12)10-21/h9,11-12,21H,1-8,10H2,(H,17,18,19).
What are the key properties of [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol?
[3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol has a molecular weight of 294.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 171359701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).