ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate

C20H27N3O2 — CID 70260877

IUPACethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2ccc(C)cc2)nc1N(CC)CC
InChIInChI=1S/C20H27N3O2/c1-6-16-17(20(24)25-9-4)19(23(7-2)8-3)22-18(21-16)15-12-10-14(5)11-13-15/h10-13H,6-9H2,1-5H3
InChIKeyROQGIBCXZFFJRO-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.04
Rot. Bonds7

About ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate

ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate (PubChem CID 70260877) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate
PubChem CID70260877
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nameethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(CC)nc(-c2ccc(C)cc2)nc1N(CC)CC
InChIInChI=1S/C20H27N3O2/c1-6-16-17(20(24)25-9-4)19(23(7-2)8-3)22-18(21-16)15-12-10-14(5)11-13-15/h10-13H,6-9H2,1-5H3
InChIKeyROQGIBCXZFFJRO-UHFFFAOYSA-N
XLogP4.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate (CID 70260877) is ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate is CCOC(=O)c1c(CC)nc(-c2ccc(C)cc2)nc1N(CC)CC.
What is the InChIKey of ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate?
The InChIKey is ROQGIBCXZFFJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-6-16-17(20(24)25-9-4)19(23(7-2)8-3)22-18(21-16)15-12-10-14(5)11-13-15/h10-13H,6-9H2,1-5H3.
What are the key properties of ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate?
ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate has a molecular weight of 341.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(diethylamino)-6-ethyl-2-(4-methylphenyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 70260877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).