5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate

C15H19ClN6O2 — CID 157224103

IUPAC5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(C)nc1N.Cc1ncc(Cl)c(N)n1
InChIInChI=1S/C10H13N3O2.C5H6ClN3/c1-3-15-9(14)5-4-8-6-12-7(2)13-10(8)11;1-3-8-2-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,12,13);2H,1H3,(H2,7,8,9)/b5-4+;
InChIKeyATILKXQUFTWTNW-FXRZFVDSSA-N
MW350.81 g/mol
LogP1.96
Rot. Bonds3

About 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate

5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate (PubChem CID 157224103) has the molecular formula C15H19ClN6O2 and a molecular weight of 350.81 g/mol. Its IUPAC name is 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate.

Molecular Properties

Compound Name5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate
PubChem CID157224103
Molecular FormulaC15H19ClN6O2
Molecular Weight350.81 g/mol
Exact Mass350.13
IUPAC Name5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1cnc(C)nc1N.Cc1ncc(Cl)c(N)n1
InChIInChI=1S/C10H13N3O2.C5H6ClN3/c1-3-15-9(14)5-4-8-6-12-7(2)13-10(8)11;1-3-8-2-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,12,13);2H,1H3,(H2,7,8,9)/b5-4+;
InChIKeyATILKXQUFTWTNW-FXRZFVDSSA-N
XLogP1.96
TPSA129.90 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate 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 (E)-3-(4-amino-2-anilinopyrimidin-5-yl)prop-2-enoate
CID 18375025
methyl 3-(4-amino-2-chloropyrimidin-5-yl)prop-2-enoate
CID 169478827
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
ethyl 3-(5,6-diamino-2-methyl-3-pyridinyl)prop-2-enoate
CID 169480433
methyl 3-chloro-5-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyridine-4-carboxylate
CID 167986436
ethyl (E)-3-(4-amino-2,6-dimethylpyrimidin-5-yl)prop-2-enoate
CID 12795374
ethyl 3-(2,4-dichloro-5-fluorophenyl)prop-2-enoate
CID 54245731
ethyl (E)-3-(2-chloro-4-methylphenyl)prop-2-enoate
CID 11064102
CID 154656989
CID 154656989
ethyl (E)-3-(4-chloro-5-fluoro-3-pyridinyl)prop-2-enoate
CID 125487609
ethyl (E)-3-(7-chloroisoquinolin-5-yl)prop-2-enoate
CID 82579891
ethyl (E)-3-(2,6-dimethyl-3-pyridinyl)prop-2-enoate
CID 164663019

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate?
The IUPAC name of 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate (CID 157224103) is 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate.
What is the SMILES notation for 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate?
The canonical SMILES for 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate is CCOC(=O)/C=C/c1cnc(C)nc1N.Cc1ncc(Cl)c(N)n1.
What is the InChIKey of 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate?
The InChIKey is ATILKXQUFTWTNW-FXRZFVDSSA-N. The full InChI is InChI=1S/C10H13N3O2.C5H6ClN3/c1-3-15-9(14)5-4-8-6-12-7(2)13-10(8)11;1-3-8-2-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,12,13);2H,1H3,(H2,7,8,9)/b5-4+;.
What are the key properties of 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate?
5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate has a molecular weight of 350.81 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylpyrimidin-4-amine;ethyl (E)-3-(4-amino-2-methylpyrimidin-5-yl)prop-2-enoate is sourced from PubChem (CID 157224103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).