ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

C14H21N3O2 — CID 140688887

IUPACethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)nc1C1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-4-19-14(18)12-9(2)16-10(3)17-13(12)11-5-7-15-8-6-11/h11,15H,4-8H2,1-3H3
InChIKeyYZIFHNSATCALSX-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.74
Rot. Bonds3

About ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate

ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (PubChem CID 140688887) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
PubChem CID140688887
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(C)nc1C1CCNCC1
InChIInChI=1S/C14H21N3O2/c1-4-19-14(18)12-9(2)16-10(3)17-13(12)11-5-7-15-8-6-11/h11,15H,4-8H2,1-3H3
InChIKeyYZIFHNSATCALSX-UHFFFAOYSA-N
XLogP1.74
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate (CID 140688887) is ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(C)nc1C1CCNCC1.
What is the InChIKey of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
The InChIKey is YZIFHNSATCALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-19-14(18)12-9(2)16-10(3)17-13(12)11-5-7-15-8-6-11/h11,15H,4-8H2,1-3H3.
What are the key properties of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate?
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 140688887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).