[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

C12H13Cl2N7O — CID 10969917

IUPAC[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)n1
InChIInChI=1S/C12H13Cl2N7O/c13-10-17-11(14)19-12(18-10)21-5-3-20(4-6-21)9-1-2-15-8(7-22)16-9/h1-2,22H,3-7H2
InChIKeyABOAIPXNJBOFBA-UHFFFAOYSA-N
MW342.19 g/mol
LogP0.79
Rot. Bonds3

About [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 10969917) has the molecular formula C12H13Cl2N7O and a molecular weight of 342.19 g/mol. Its IUPAC name is [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID10969917
Molecular FormulaC12H13Cl2N7O
Molecular Weight342.19 g/mol
Exact Mass341.06
IUPAC Name[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESOCc1nccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)n1
InChIInChI=1S/C12H13Cl2N7O/c13-10-17-11(14)19-12(18-10)21-5-3-20(4-6-21)9-1-2-15-8(7-22)16-9/h1-2,22H,3-7H2
InChIKeyABOAIPXNJBOFBA-UHFFFAOYSA-N
XLogP0.79
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (CID 10969917) is [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is OCc1nccc(N2CCN(c3nc(Cl)nc(Cl)n3)CC2)n1.
What is the InChIKey of [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is ABOAIPXNJBOFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N7O/c13-10-17-11(14)19-12(18-10)21-5-3-20(4-6-21)9-1-2-15-8(7-22)16-9/h1-2,22H,3-7H2.
What are the key properties of [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 342.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,6-dichloro-1,3,5-triazin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 10969917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).