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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Related Compounds

1-methyl-2-((2R)-2-methyl-piperazin-1-yl)-1H-[4,4']bipyrimidinyl-6-one
CID 25004596
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004929
2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005271
3-methyl-2-[(2R)-2-methyl-4-methylsulfonylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005272
methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
CID 25005627
3-methyl-2-[(2R)-2-methyl-4-phenylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005629
3-methyl-2-[(2R)-2-methyl-4-propan-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005990
3-Methyl-2-(4-methylpiperazin-1-yl)-6-pyrimidin-4-ylpyrimidin-4-one
CID 57594057
3-methyl-2-[(2R)-2-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 57870102
3-methyl-2-[(2R)-2-methyl-4-pyrimidin-2-ylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 57870208
1-methyl-6-(piperidin-1-yl)-4-(pyrimidin-4-yl)pyridin-2(1H)-one
CID 53319742
4-(2-aminopyrimidin-4-yl)-2-(cyclohexylamino)-1H-pyrimidin-6-one
CID 136042387

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).