ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate

C8H10ClN3O2 — CID 12901700

IUPACethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC)nc1Cl
InChIInChI=1S/C8H10ClN3O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyDQJLKMDZIGLGBA-UHFFFAOYSA-N
MW215.64 g/mol
LogP1.35
Rot. Bonds3

About ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate

ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate (PubChem CID 12901700) has the molecular formula C8H10ClN3O2 and a molecular weight of 215.64 g/mol. Its IUPAC name is ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate
PubChem CID12901700
Molecular FormulaC8H10ClN3O2
Molecular Weight215.64 g/mol
Exact Mass215.05
IUPAC Nameethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC)nc1Cl
InChIInChI=1S/C8H10ClN3O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H,10,11,12)
InChIKeyDQJLKMDZIGLGBA-UHFFFAOYSA-N
XLogP1.35
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-chloro-2-(methylamino)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

Related Compounds

5-Pyrimidinecarboxylic acid, 4-amino-2-(methylthio)-, ethyl ester
CID 222666
Ethyl 4-amino-2-methylpyrimidine-5-carboxylate
CID 231662
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester
CID 80008
Ethyl 5-pyrimidinecarboxylate
CID 4223810
Ethyl 2,4-diaminopyrimidine-5-carboxylate
CID 222669
Ethyl 2-aminopyrimidine-5-carboxylate
CID 295889
Methyl pyrimidine-5-carboxylate
CID 253902
Ethyl 4-amino-2-(aziridin-1-yl)pyrimidine-5-carboxylate
CID 248642
Ethyl 2,4-dichloropyrimidine-5-carboxylate
CID 104020
Methyl 2-aminopyrimidine-5-carboxylate
CID 9793866
2-Chloro-pyrimidine-5-carboxylic acid ethyl ester
CID 10487815
Methyl 2-chloropyrimidine-5-carboxylate
CID 12627752

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate (CID 12901700) is ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC)nc1Cl.
What is the InChIKey of ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate?
The InChIKey is DQJLKMDZIGLGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O2/c1-3-14-7(13)5-4-11-8(10-2)12-6(5)9/h4H,3H2,1-2H3,(H,10,11,12).
What are the key properties of ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate?
ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate has a molecular weight of 215.64 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-2-(methylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 12901700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).