[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol

C17H24N6O — CID 164638462

IUPAC[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol
SMILESCc1ncc(CN2CCN(Cc3cnc(C)nc3)[C@@H](CO)C2)cn1
InChIInChI=1S/C17H24N6O/c1-13-18-5-15(6-19-13)9-22-3-4-23(17(11-22)12-24)10-16-7-20-14(2)21-8-16/h5-8,17,24H,3-4,9-12H2,1-2H3/t17-/m1/s1
InChIKeyKBARXTOFMHVYIC-QGZVFWFLSA-N
MW328.42 g/mol
LogP0.56
Rot. Bonds5

About [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol

[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol (PubChem CID 164638462) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol
PubChem CID164638462
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol
SMILESCc1ncc(CN2CCN(Cc3cnc(C)nc3)[C@@H](CO)C2)cn1
InChIInChI=1S/C17H24N6O/c1-13-18-5-15(6-19-13)9-22-3-4-23(17(11-22)12-24)10-16-7-20-14(2)21-8-16/h5-8,17,24H,3-4,9-12H2,1-2H3/t17-/m1/s1
InChIKeyKBARXTOFMHVYIC-QGZVFWFLSA-N
XLogP0.56
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol?
The IUPAC name of [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol (CID 164638462) is [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol?
The canonical SMILES for [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol is Cc1ncc(CN2CCN(Cc3cnc(C)nc3)[C@@H](CO)C2)cn1.
What is the InChIKey of [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol?
The InChIKey is KBARXTOFMHVYIC-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-18-5-15(6-19-13)9-22-3-4-23(17(11-22)12-24)10-16-7-20-14(2)21-8-16/h5-8,17,24H,3-4,9-12H2,1-2H3/t17-/m1/s1.
What are the key properties of [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol?
[(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol has a molecular weight of 328.42 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,4-bis[(2-methylpyrimidin-5-yl)methyl]piperazin-2-yl]methanol is sourced from PubChem (CID 164638462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).