ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate

C14H22N4O2 — CID 60726756

IUPACethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)nc(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-13-9-10(2)15-11(3)16-13/h9,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDAUQZTDICVRFPC-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.13
Rot. Bonds3

About ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate

ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 60726756) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
PubChem CID60726756
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Nameethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2cc(C)nc(C)n2)CC1
InChIInChI=1S/C14H22N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-13-9-10(2)15-11(3)16-13/h9,12H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyDAUQZTDICVRFPC-UHFFFAOYSA-N
XLogP2.13
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112908326
ethyl 4-[[6-(cyclohexylamino)-2-methylpyrimidine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109363822
ethyl 4-[[2-methyl-6-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112873698
ethyl 4-[[6-(2-chloroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875223
ethyl 4-[[6-methyl-2-(2-phenylethylamino)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112920180
ethyl 4-[[6-(3-fluoroanilino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112875235
ethyl 4-[[4-methyl-6-(2-methylpropylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112908519
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
4-[[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-6-methylpyrimidin-4-yl]amino]benzoic acid
CID 113194298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate (CID 60726756) is ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2cc(C)nc(C)n2)CC1.
What is the InChIKey of ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is DAUQZTDICVRFPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-4-20-14(19)18-7-5-12(6-8-18)17-13-9-10(2)15-11(3)16-13/h9,12H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 278.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 60726756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).