3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

C14H18N6O — CID 25004927

IUPAC3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@H]1CNCCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyUNGATEXXPAEKLB-JTQLQIEISA-N
MW286.34 g/mol
LogP0.04
Rot. Bonds2

About 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one

3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (PubChem CID 25004927) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
PubChem CID25004927
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
SMILESC[C@H]1CNCCN1c1nc(-c2ccncn2)cc(=O)n1C
InChIInChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyUNGATEXXPAEKLB-JTQLQIEISA-N
XLogP0.04
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The IUPAC name of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one (CID 25004927) is 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one.
What is the SMILES notation for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The canonical SMILES for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is C[C@H]1CNCCN1c1nc(-c2ccncn2)cc(=O)n1C.
What is the InChIKey of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
The InChIKey is UNGATEXXPAEKLB-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N6O/c1-10-8-15-5-6-20(10)14-18-12(7-13(21)19(14)2)11-3-4-16-9-17-11/h3-4,7,9-10,15H,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one?
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one has a molecular weight of 286.34 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one is sourced from PubChem (CID 25004927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).