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

C13H20N4O3 — CID 136956021

IUPACethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)17-6-4-10(5-7-17)16-11-8-12(18)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H2,14,15,16,18)
InChIKeyOGSRFMNIONJNNH-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.11
Rot. Bonds3

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

ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 136956021) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID136956021
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Nameethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(=O)[nH]c(C)n2)CC1
InChIInChI=1S/C13H20N4O3/c1-3-20-13(19)17-6-4-10(5-7-17)16-11-8-12(18)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H2,14,15,16,18)
InChIKeyOGSRFMNIONJNNH-UHFFFAOYSA-N
XLogP1.11
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.11
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-[(2-methyl-4-sulfanylidene-1H-pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 82457181
ethyl 4-[(2-ethyl-4-sulfanylidene-1H-pyrimidin-6-yl)amino]piperidine-1-carboxylate
CID 82457242
2-(2-Aminoethyl)-3-methyl-6-piperidin-1-ylpyrimidin-4-one
CID 84699558
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)amino]piperidine-1-carboxylate
CID 110853948
Tert-butyl [1-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 135629834
Ethyl (1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)piperidin-4-yl)carbamate
CID 136662613
2-ethyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778290
2-methyl-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778297
4-[(3R)-3-aminopiperidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136873263
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperazine-1-carboxylate
CID 136898502

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 136956021) is ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(=O)[nH]c(C)n2)CC1.
What is the InChIKey of ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is OGSRFMNIONJNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-3-20-13(19)17-6-4-10(5-7-17)16-11-8-12(18)15-9(2)14-11/h8,10H,3-7H2,1-2H3,(H2,14,15,16,18).
What are the key properties of ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 280.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 136956021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).