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

C14H22ClN3O2 — CID 140688886

IUPACethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)nc(C)nc1C1CCNCC1.Cl
InChIInChI=1S/C14H21N3O2.ClH/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;1H
InChIKeyUBYSFLQPYAJXMO-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.16
Rot. Bonds3

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

ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride (PubChem CID 140688886) has the molecular formula C14H22ClN3O2 and a molecular weight of 299.80 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride
PubChem CID140688886
Molecular FormulaC14H22ClN3O2
Molecular Weight299.80 g/mol
Exact Mass299.14
IUPAC Nameethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride
SMILESCCOC(=O)c1c(C)nc(C)nc1C1CCNCC1.Cl
InChIInChI=1S/C14H21N3O2.ClH/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;1H
InChIKeyUBYSFLQPYAJXMO-UHFFFAOYSA-N
XLogP2.16
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.16
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;hydrochloride?
The IUPAC name of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride (CID 140688886) is ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride?
The canonical SMILES for ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride is CCOC(=O)c1c(C)nc(C)nc1C1CCNCC1.Cl.
What is the InChIKey of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride?
The InChIKey is UBYSFLQPYAJXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2.ClH/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;1H.
What are the key properties of ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride?
ethyl 2,4-dimethyl-6-piperidin-4-ylpyrimidine-5-carboxylate;hydrochloride has a molecular weight of 299.80 g/mol, XLogP of 2.16, 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;hydrochloride is sourced from PubChem (CID 140688886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).