ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate

C16H24N4O2 — CID 126849522

IUPACethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-22-16(21)20-8-6-13(7-9-20)19-15-10-14(17-11-18-15)12-4-3-5-12/h10-13H,2-9H2,1H3,(H,17,18,19)
InChIKeyQXWMMLUEXFATHP-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.78
Rot. Bonds4

About ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate

ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 126849522) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID126849522
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Nameethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C3CCC3)ncn2)CC1
InChIInChI=1S/C16H24N4O2/c1-2-22-16(21)20-8-6-13(7-9-20)19-15-10-14(17-11-18-15)12-4-3-5-12/h10-13H,2-9H2,1H3,(H,17,18,19)
InChIKeyQXWMMLUEXFATHP-UHFFFAOYSA-N
XLogP2.78
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 91779196
ethyl 4-[[6-(cycloheptylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862849
ethyl 4-[[6-(cyclohexylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112856231
ethyl 4-[(6-propylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241296
ethyl 4-[(6-propan-2-ylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 61241126
ethyl 4-[[6-(propan-2-ylcarbamoyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109338885
ethyl 4-[[6-(dipropylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112862856
ethyl 4-[[6-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112860217
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
1-[4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone;dihydrochloride
CID 154903346
ethyl 6-[(1-acetylpiperidin-4-yl)amino]pyrimidine-4-carboxylate
CID 130405890
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 126849522) is ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C3CCC3)ncn2)CC1.
What is the InChIKey of ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is QXWMMLUEXFATHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-2-22-16(21)20-8-6-13(7-9-20)19-15-10-14(17-11-18-15)12-4-3-5-12/h10-13H,2-9H2,1H3,(H,17,18,19).
What are the key properties of ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-cyclobutylpyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 126849522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).