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

C13H20N4O3 — CID 19861292

IUPACethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)17-8-5-10(6-9-17)16(2)12-14-7-4-11(18)15-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,18)
InChIKeyQVYDJPYILSHLHX-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.83
Rot. Bonds3

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

ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate (PubChem CID 19861292) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
PubChem CID19861292
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N(C)c2nccc(=O)[nH]2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)17-8-5-10(6-9-17)16(2)12-14-7-4-11(18)15-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,18)
InChIKeyQVYDJPYILSHLHX-UHFFFAOYSA-N
XLogP0.83
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate (CID 19861292) is ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N(C)c2nccc(=O)[nH]2)CC1.
What is the InChIKey of ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
The InChIKey is QVYDJPYILSHLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(19)17-8-5-10(6-9-17)16(2)12-14-7-4-11(18)15-12/h4,7,10H,3,5-6,8-9H2,1-2H3,(H,14,15,18).
What are the key properties of ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate?
ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 19861292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).