ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate

C10H15N3O2 — CID 167715134

IUPACethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(CN)nc1C
InChIInChI=1S/C10H15N3O2/c1-4-15-10(14)9-6(2)12-8(5-11)13-7(9)3/h4-5,11H2,1-3H3
InChIKeyVAJIOHULALYTEH-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.73
Rot. Bonds3

About ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate

ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate (PubChem CID 167715134) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
PubChem CID167715134
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)nc(CN)nc1C
InChIInChI=1S/C10H15N3O2/c1-4-15-10(14)9-6(2)12-8(5-11)13-7(9)3/h4-5,11H2,1-3H3
InChIKeyVAJIOHULALYTEH-UHFFFAOYSA-N
XLogP0.73
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-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

Related Compounds

ethyl 2-chloro-4,6-dimethylpyrimidine-5-carboxylate
CID 59868739
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
ethyl 4-amino-6-methyl-2-(propoxymethyl)pyrimidine-5-carboxylate
CID 116647711
ethyl 5-acetyl-3,6-dimethylpyridazine-4-carboxylate
CID 15307848
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
ethyl 5-(aminomethyl)-2-methyl-1,2,4-triazole-3-carboxylate;hydrochloride
CID 146155006
ethyl 4-amino-6-methyl-2-(phenoxymethyl)pyrimidine-5-carboxylate
CID 116647779
ethyl 4-iodo-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 11529435
ethyl 4-amino-6-methyl-2-(phenylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647714
4-ethoxycarbonyl-3-methyl-1,2-oxazole-5-carboxylic acid
CID 15692965
ethyl 1-amino-3,5-dimethylpyrazole-4-carboxylate
CID 70386750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate (CID 167715134) is ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)nc(CN)nc1C.
What is the InChIKey of ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate?
The InChIKey is VAJIOHULALYTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-4-15-10(14)9-6(2)12-8(5-11)13-7(9)3/h4-5,11H2,1-3H3.
What are the key properties of ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate?
ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(aminomethyl)-4,6-dimethylpyrimidine-5-carboxylate is sourced from PubChem (CID 167715134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).