ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate

C16H27N5O2 — CID 50971536

IUPACethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N(C)C)nc(C)c2C)CC1
InChIInChI=1S/C16H27N5O2/c1-6-23-16(22)21-9-7-13(8-10-21)18-14-11(2)12(3)17-15(19-14)20(4)5/h13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyZMTUZUPRDQVXRF-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.19
Rot. Bonds4

About ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 50971536) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID50971536
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Nameethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc(N(C)C)nc(C)c2C)CC1
InChIInChI=1S/C16H27N5O2/c1-6-23-16(22)21-9-7-13(8-10-21)18-14-11(2)12(3)17-15(19-14)20(4)5/h13H,6-10H2,1-5H3,(H,17,18,19)
InChIKeyZMTUZUPRDQVXRF-UHFFFAOYSA-N
XLogP2.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 50971536) is ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc(N(C)C)nc(C)c2C)CC1.
What is the InChIKey of ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is ZMTUZUPRDQVXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-6-23-16(22)21-9-7-13(8-10-21)18-14-11(2)12(3)17-15(19-14)20(4)5/h13H,6-10H2,1-5H3,(H,17,18,19).
What are the key properties of ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 321.43 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 50971536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).