methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate

C16H20N6O3 — CID 25005627

IUPACmethyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C16H20N6O3/c1-11-9-21(16(24)25-3)6-7-22(11)15-19-13(8-14(23)20(15)2)12-4-5-17-10-18-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyARTZOKHMSBGQSE-LLVKDONJSA-N
MW344.38 g/mol
LogP0.51
Rot. Bonds2

About methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate

methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate (PubChem CID 25005627) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
PubChem CID25005627
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC Namemethyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1
InChIInChI=1S/C16H20N6O3/c1-11-9-21(16(24)25-3)6-7-22(11)15-19-13(8-14(23)20(15)2)12-4-5-17-10-18-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyARTZOKHMSBGQSE-LLVKDONJSA-N
XLogP0.51
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

1-methyl-2-((2R)-2-methyl-piperazin-1-yl)-1H-[4,4']bipyrimidinyl-6-one
CID 25004596
3-methyl-2-[(2S)-2-methylpiperazin-1-yl]-6-pyrimidin-4-ylpyrimidin-4-one
CID 25004927
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
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
2-[(2S)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005268

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate (CID 25005627) is methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate is COC(=O)N1CCN(c2nc(-c3ccncn3)cc(=O)n2C)[C@H](C)C1.
What is the InChIKey of methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
The InChIKey is ARTZOKHMSBGQSE-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-11-9-21(16(24)25-3)6-7-22(11)15-19-13(8-14(23)20(15)2)12-4-5-17-10-18-12/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate?
methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate has a molecular weight of 344.38 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-methyl-4-(1-methyl-6-oxo-4-pyrimidin-4-ylpyrimidin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 25005627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).