ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

C13H19N3O3 — CID 136989714

IUPACethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-6-4-5-7-16(10)11-8-12(17)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyGYEGYEGNFVLVNY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.00
Rot. Bonds3

About ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate

ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (PubChem CID 136989714) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
PubChem CID136989714
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1
InChIInChI=1S/C13H19N3O3/c1-3-19-13(18)10-6-4-5-7-16(10)11-8-12(17)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyGYEGYEGNFVLVNY-UHFFFAOYSA-N
XLogP1.00
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylate
CID 136741430
3,3-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689830
3-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896339
3-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896342
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896344
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958330
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958441
4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972429
4-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972431
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-4-methylpiperidine-2-carboxylic acid
CID 136972432

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate (CID 136989714) is ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is CCOC(=O)C1CCCCN1c1cc(=O)[nH]c(C)n1.
What is the InChIKey of ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
The InChIKey is GYEGYEGNFVLVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-13(18)10-6-4-5-7-16(10)11-8-12(17)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate?
ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylate is sourced from PubChem (CID 136989714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).