[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

C12H15N7O — CID 10989418

IUPAC[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncncn3)CC2)n1
InChIInChI=1S/C12H15N7O/c20-7-10-14-2-1-11(17-10)18-3-5-19(6-4-18)12-15-8-13-9-16-12/h1-2,8-9,20H,3-7H2
InChIKeyDRBDDIHHJRKHCT-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.52
Rot. Bonds3

About [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 10989418) has the molecular formula C12H15N7O and a molecular weight of 273.30 g/mol. Its IUPAC name is [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID10989418
Molecular FormulaC12H15N7O
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3ncncn3)CC2)n1
InChIInChI=1S/C12H15N7O/c20-7-10-14-2-1-11(17-10)18-3-5-19(6-4-18)12-15-8-13-9-16-12/h1-2,8-9,20H,3-7H2
InChIKeyDRBDDIHHJRKHCT-UHFFFAOYSA-N
XLogP-0.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (CID 10989418) is [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3ncncn3)CC2)n1.
What is the InChIKey of [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is DRBDDIHHJRKHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O/c20-7-10-14-2-1-11(17-10)18-3-5-19(6-4-18)12-15-8-13-9-16-12/h1-2,8-9,20H,3-7H2.
What are the key properties of [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 273.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 10989418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).