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

C12H18N4O3 — CID 136956023

IUPACethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)16-5-3-9(4-6-16)15-10-7-11(17)14-8-13-10/h7-9H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyVMMQHMWOEWCGNS-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.80
Rot. Bonds3

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

ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 136956023) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID136956023
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)16-5-3-9(4-6-16)15-10-7-11(17)14-8-13-10/h7-9H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyVMMQHMWOEWCGNS-UHFFFAOYSA-N
XLogP0.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[methyl-(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 19861292
ethyl 4-[[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 136388252
Ethyl 4-(6-hydroxypyrimidine-4-carboxamido)piperidine-1-carboxylate
CID 136655100
tert-butyl 4-[(6-oxo-1H-pyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 71095525
6-(4-Aminopiperidin-1-yl)-3,4-dihydropyrimidin-4-one
CID 136958169
[1-[4-Chloro-1-(3-methoxypropyl)-6-oxopyrimidin-2-yl]piperidin-4-yl]carbamic acid
CID 140869125
ethyl 4-[(4-sulfanylidene-1H-pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 82457118
ethyl 4-[[N'-[2-oxo-2-(prop-2-enylamino)ethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 109984934
ethyl 4-[(6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853947
ethyl 4-[(N'-prop-2-enylcarbamimidoyl)amino]piperidine-1-carboxylate;hydroiodide
CID 110913733
ethyl 4-[(N'-prop-2-enylcarbamimidoyl)amino]piperidine-1-carboxylate
CID 110913734
ethyl 4-[[N'-[4-(2-oxo-1-pyridinyl)butyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111083556

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 136956023) is ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is VMMQHMWOEWCGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)16-5-3-9(4-6-16)15-10-7-11(17)14-8-13-10/h7-9H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136956023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).