[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol

C15H24N4O2 — CID 71922529

IUPAC[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1N1CCCC1CO
InChIInChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3
InChIKeyYFTHVGZUQGDJKE-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.71
Rot. Bonds4

About [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol

[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 71922529) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID71922529
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCc1cnc(N2CCCC2CO)nc1N1CCCC1CO
InChIInChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3
InChIKeyYFTHVGZUQGDJKE-UHFFFAOYSA-N
XLogP0.71
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-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

Frequently Asked Questions

What is the IUPAC name of [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 71922529) is [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol is Cc1cnc(N2CCCC2CO)nc1N1CCCC1CO.
What is the InChIKey of [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is YFTHVGZUQGDJKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11-8-16-15(19-7-3-5-13(19)10-21)17-14(11)18-6-2-4-12(18)9-20/h8,12-13,20-21H,2-7,9-10H2,1H3.
What are the key properties of [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 292.38 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 71922529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).