ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate

C14H19N3O2 — CID 83178577

IUPACethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC=CCC2)nc1C
InChIInChI=1S/C14H19N3O2/c1-3-19-13(18)12-9-15-14(16-10(12)2)17-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16,17)
InChIKeyZAEHDMMXLVKYKK-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.48
Rot. Bonds4

About ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate

ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate (PubChem CID 83178577) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
PubChem CID83178577
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Nameethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC=CCC2)nc1C
InChIInChI=1S/C14H19N3O2/c1-3-19-13(18)12-9-15-14(16-10(12)2)17-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16,17)
InChIKeyZAEHDMMXLVKYKK-UHFFFAOYSA-N
XLogP2.48
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-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 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
CID 83178883
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
CID 83180168
ethyl 2-(cyclopropylamino)-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 102972606
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
CID 166202903
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
1-[2-(cyclopropylamino)-4-methylpyrimidin-5-yl]ethanone
CID 71668637
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate (CID 83178577) is ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CC=CCC2)nc1C.
What is the InChIKey of ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate?
The InChIKey is ZAEHDMMXLVKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-3-19-13(18)12-9-15-14(16-10(12)2)17-11-7-5-4-6-8-11/h4-5,9,11H,3,6-8H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate?
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83178577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).