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

C13H18ClN3O2 — CID 135151263

IUPACethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C13H18ClN3O2/c1-2-19-12(18)10-8-15-13(14)17-11(10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyYDZDMKLOFHEDFQ-UHFFFAOYSA-N
MW283.76 g/mol
LogP3.05
Rot. Bonds4

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

ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate (PubChem CID 135151263) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
PubChem CID135151263
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Nameethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(Cl)nc1NC1CCCCC1
InChIInChI=1S/C13H18ClN3O2/c1-2-19-12(18)10-8-15-13(14)17-11(10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,15,16,17)
InChIKeyYDZDMKLOFHEDFQ-UHFFFAOYSA-N
XLogP3.05
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-chloro-4-(cyclohexylamino)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

ethyl 2-chloro-4-[(3-hydroxycyclobutyl)amino]pyrimidine-5-carboxylate
CID 156572666
ethyl 2-chloro-4-[[(1S)-1-cyclohexyl-2-hydroxyethyl]amino]pyrimidine-5-carboxylate
CID 167516579
methyl 2-chloro-4-(cyclobutylamino)pyrimidine-5-carboxylate
CID 135200676
ethyl 2-chloro-4-[(2-hydroxyspiro[3.3]heptan-6-yl)amino]pyrimidine-5-carboxylate
CID 156776383
ethyl 2-chloro-4-[(3-hydroxy-8-bicyclo[3.2.1]octanyl)amino]pyrimidine-5-carboxylate
CID 156776364
cyclopentanamine;ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate;ethyl 4-(cyclopentylamino)-2-methylsulfanylpyrimidine-5-carboxylate
CID 159398317
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
[2-chloro-4-(cyclopropylamino)pyrimidin-5-yl]-silylmethanone
CID 162245679
ethyl 2-(3,5-dichloroanilino)-4-(oxan-4-ylamino)pyrimidine-5-carboxylate
CID 71553238
4-[(4-aminocyclohexyl)amino]-2-chloropyrimidine-5-carboxylic acid
CID 89127830
ethyl 2-chloro-4-[(4-cyano-1-bicyclo[2.2.2]octanyl)amino]pyrimidine-5-carboxylate
CID 156572757
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate (CID 135151263) is ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(Cl)nc1NC1CCCCC1.
What is the InChIKey of ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate?
The InChIKey is YDZDMKLOFHEDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-2-19-12(18)10-8-15-13(14)17-11(10)16-9-6-4-3-5-7-9/h8-9H,2-7H2,1H3,(H,15,16,17).
What are the key properties of ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate?
ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate has a molecular weight of 283.76 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chloro-4-(cyclohexylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 135151263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).