ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate

C12H19N3O2 — CID 10705046

IUPACethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(N(C)C)ncc1C(=O)OCC
InChIInChI=1S/C12H19N3O2/c1-5-7-10-9(11(16)17-6-2)8-13-12(14-10)15(3)4/h8H,5-7H2,1-4H3
InChIKeyFTCWZNAFDBJMQH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.67
Rot. Bonds5

About ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate

ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate (PubChem CID 10705046) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate
PubChem CID10705046
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nameethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate
SMILESCCCc1nc(N(C)C)ncc1C(=O)OCC
InChIInChI=1S/C12H19N3O2/c1-5-7-10-9(11(16)17-6-2)8-13-12(14-10)15(3)4/h8H,5-7H2,1-4H3
InChIKeyFTCWZNAFDBJMQH-UHFFFAOYSA-N
XLogP1.67
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(dimethylamino)-4-propylpyrimidine-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 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate (CID 10705046) is ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate is CCCc1nc(N(C)C)ncc1C(=O)OCC.
What is the InChIKey of ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate?
The InChIKey is FTCWZNAFDBJMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-7-10-9(11(16)17-6-2)8-13-12(14-10)15(3)4/h8H,5-7H2,1-4H3.
What are the key properties of ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate?
ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(dimethylamino)-4-propylpyrimidine-5-carboxylate is sourced from PubChem (CID 10705046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).