ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate

C12H19N3O2 — CID 123749605

IUPACethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(NC)nc1CC
InChIInChI=1S/C12H19N3O2/c1-5-8-10(11(16)17-7-3)9(6-2)15-12(13-4)14-8/h5-7H2,1-4H3,(H,13,14,15)
InChIKeyQTFKAAUFLNZJLT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.82
Rot. Bonds5

About ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate

ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate (PubChem CID 123749605) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate
PubChem CID123749605
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(NC)nc1CC
InChIInChI=1S/C12H19N3O2/c1-5-8-10(11(16)17-7-3)9(6-2)15-12(13-4)14-8/h5-7H2,1-4H3,(H,13,14,15)
InChIKeyQTFKAAUFLNZJLT-UHFFFAOYSA-N
XLogP1.82
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate (CID 123749605) is ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate is CCOC(=O)c1c(CC)nc(NC)nc1CC.
What is the InChIKey of ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is QTFKAAUFLNZJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-8-10(11(16)17-7-3)9(6-2)15-12(13-4)14-8/h5-7H2,1-4H3,(H,13,14,15).
What are the key properties of ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate?
ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,6-diethyl-2-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 123749605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).