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

C13H16N6O — CID 10912647

IUPAC[4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccncn3)CC2)n1
InChIInChI=1S/C13H16N6O/c20-9-11-15-4-2-13(17-11)19-7-5-18(6-8-19)12-1-3-14-10-16-12/h1-4,10,20H,5-9H2
InChIKeyHXJDGRIVWBSSPP-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.09
Rot. Bonds3

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

[4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (PubChem CID 10912647) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
PubChem CID10912647
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name[4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ccncn3)CC2)n1
InChIInChI=1S/C13H16N6O/c20-9-11-15-4-2-13(17-11)19-7-5-18(6-8-19)12-1-3-14-10-16-12/h1-4,10,20H,5-9H2
InChIKeyHXJDGRIVWBSSPP-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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Frequently Asked Questions

What is the IUPAC name of [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The IUPAC name of [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol (CID 10912647) is [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The canonical SMILES for [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ccncn3)CC2)n1.
What is the InChIKey of [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
The InChIKey is HXJDGRIVWBSSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c20-9-11-15-4-2-13(17-11)19-7-5-18(6-8-19)12-1-3-14-10-16-12/h1-4,10,20H,5-9H2.
What are the key properties of [4-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol?
[4-(4-pyrimidin-4-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-4-ylpiperazin-1-yl)pyrimidin-2-yl]methanol is sourced from PubChem (CID 10912647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).