[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol

C13H18N6O — CID 164633059

IUPAC[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(c2cc(-n3ccnc3)ncn2)C[C@@H]1CO
InChIInChI=1S/C13H18N6O/c1-17-4-5-18(7-11(17)8-20)12-6-13(16-9-15-12)19-3-2-14-10-19/h2-3,6,9-11,20H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyYEDPFGXBJOUJEX-LLVKDONJSA-N
MW274.33 g/mol
LogP-0.22
Rot. Bonds3

About [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol

[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol (PubChem CID 164633059) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
PubChem CID164633059
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(c2cc(-n3ccnc3)ncn2)C[C@@H]1CO
InChIInChI=1S/C13H18N6O/c1-17-4-5-18(7-11(17)8-20)12-6-13(16-9-15-12)19-3-2-14-10-19/h2-3,6,9-11,20H,4-5,7-8H2,1H3/t11-/m1/s1
InChIKeyYEDPFGXBJOUJEX-LLVKDONJSA-N
XLogP-0.22
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol (CID 164633059) is [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol is CN1CCN(c2cc(-n3ccnc3)ncn2)C[C@@H]1CO.
What is the InChIKey of [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
The InChIKey is YEDPFGXBJOUJEX-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18N6O/c1-17-4-5-18(7-11(17)8-20)12-6-13(16-9-15-12)19-3-2-14-10-19/h2-3,6,9-11,20H,4-5,7-8H2,1H3/t11-/m1/s1.
What are the key properties of [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol?
[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol has a molecular weight of 274.33 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 164633059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).