[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol

C14H18N6O2 — CID 11141177

IUPAC[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
InChIKeyFNLZVSXPZILFKQ-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.42
Rot. Bonds4

About [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 11141177) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID11141177
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2
InChIKeyFNLZVSXPZILFKQ-UHFFFAOYSA-N
XLogP-0.42
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol (CID 11141177) is [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ccnc(CO)n3)CC2)n1.
What is the InChIKey of [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is FNLZVSXPZILFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c21-9-11-15-3-1-13(17-11)19-5-7-20(8-6-19)14-2-4-16-12(10-22)18-14/h1-4,21-22H,5-10H2.
What are the key properties of [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 302.34 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 11141177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).