[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol

C13H16N6O — CID 10869424

IUPAC[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H16N6O/c20-10-11-14-5-2-12(17-11)18-6-8-19(9-7-18)13-15-3-1-4-16-13/h1-5,20H,6-10H2
InChIKeyOEZFRVMZIWCDDR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.09
Rot. Bonds3

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

[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (PubChem CID 10869424) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
PubChem CID10869424
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C13H16N6O/c20-10-11-14-5-2-12(17-11)18-6-8-19(9-7-18)13-15-3-1-4-16-13/h1-5,20H,6-10H2
InChIKeyOEZFRVMZIWCDDR-UHFFFAOYSA-N
XLogP0.09
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol
CID 142019378
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanol
CID 62253382
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112898909
[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
CID 142019428
2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 7033665
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanamine
CID 62300156
2-[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 61229554
N-benzyl-N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112893045
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
2-benzyl-4-(4-phenylpiperazin-1-yl)pyrimidine
CID 136521532
1-(4-pyrrolidin-1-ylpyrimidin-2-yl)azepane
CID 112883879

Frequently Asked Questions

What is the IUPAC name of [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (CID 10869424) is [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The InChIKey is OEZFRVMZIWCDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-10-11-14-5-2-12(17-11)18-6-8-19(9-7-18)13-15-3-1-4-16-13/h1-5,20H,6-10H2.
What are the key properties of [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol has a molecular weight of 272.31 g/mol, XLogP of 0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 10869424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).