ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate

C13H19N3O3 — CID 164998005

IUPACethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-8-9(2)11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHVCJMRGKLWPADU-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds3

About ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate

ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (PubChem CID 164998005) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
PubChem CID164998005
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ncc(C)c(=O)[nH]2)CC1
InChIInChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-8-9(2)11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyHVCJMRGKLWPADU-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 1-(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)piperidine-4-carboxylate
CID 135646540
ethyl 1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate
CID 135122683
2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 139525765
1-(6-oxo-5-propyl-1H-pyrimidin-2-yl)piperidine-4-carboxylic acid
CID 165081107
N,N-dimethyl-1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxamide
CID 165103559
Ethyl 1-(4-hydroxy-6-methylpyrimidin-2-yl)piperidine-4-carboxylate
CID 135935331
Ethyl 1-(6-oxo-1,6-dihydropyrimidin-4-yl)piperidine-4-carboxylate
CID 136989655

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate (CID 164998005) is ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ncc(C)c(=O)[nH]2)CC1.
What is the InChIKey of ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
The InChIKey is HVCJMRGKLWPADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-12(18)10-4-6-16(7-5-10)13-14-8-9(2)11(17)15-13/h8,10H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate?
ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-4-carboxylate is sourced from PubChem (CID 164998005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).