3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate

C15H19ClN6O4 — CID 157496465

IUPAC3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ncc(OC)nc1N.COc1cnc(Cl)c(N)n1
InChIInChI=1S/C10H13N3O3.C5H6ClN3O/c1-3-16-9(14)5-4-7-10(11)13-8(15-2)6-12-7;1-10-3-2-8-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,13);2H,1H3,(H2,7,9)/b5-4+;
InChIKeyBXWVIKFGTOCPBY-FXRZFVDSSA-N
MW382.81 g/mol
LogP1.36
Rot. Bonds5

About 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate

3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate (PubChem CID 157496465) has the molecular formula C15H19ClN6O4 and a molecular weight of 382.81 g/mol. Its IUPAC name is 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate.

Molecular Properties

Compound Name3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate
PubChem CID157496465
Molecular FormulaC15H19ClN6O4
Molecular Weight382.81 g/mol
Exact Mass382.12
IUPAC Name3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate
SMILESCCOC(=O)/C=C/c1ncc(OC)nc1N.COc1cnc(Cl)c(N)n1
InChIInChI=1S/C10H13N3O3.C5H6ClN3O/c1-3-16-9(14)5-4-7-10(11)13-8(15-2)6-12-7;1-10-3-2-8-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,13);2H,1H3,(H2,7,9)/b5-4+;
InChIKeyBXWVIKFGTOCPBY-FXRZFVDSSA-N
XLogP1.36
TPSA148.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoic acid
CID 68928398
CID 154656989
CID 154656989
3-chloro-6-methoxypyrazin-2-amine
CID 11701087
ethyl (E)-3-(4-methoxy-3,5-dimethyl-2-pyridinyl)prop-2-enoate
CID 86653694
tert-butyl 4-[(3-chloro-6-methoxypyrazin-2-yl)amino]piperidine-1-carboxylate;tert-butyl 4-[[3-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-methoxypyrazin-2-yl]amino]piperidine-1-carboxylate;ethyl prop-2-enoate
CID 158661792
ethyl (E)-3-(3-amino-6-chloro-4-methyl-2-pyridinyl)prop-2-enoate
CID 167350889
ethyl (E)-3-(6-amino-5-methoxy-3-pyridinyl)prop-2-enoate
CID 66961501
ethyl (E)-3-(4-amino-2,6-dimethylpyrimidin-5-yl)prop-2-enoate
CID 12795374
ethyl 5-amino-6-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyridine-3-carboxylate
CID 175325699
ethyl (E)-3-(4-amino-2-chloro-6-methoxypyrimidin-5-yl)prop-2-enoate
CID 170707726
ethyl (E)-3-(2-amino-4-methoxypyrimidin-5-yl)prop-2-enoate
CID 164908029
ethyl (E)-3-[2-chloro-5-(trifluoromethyl)-3-pyridinyl]prop-2-enoate
CID 140543607

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate?
The IUPAC name of 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate (CID 157496465) is 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate.
What is the SMILES notation for 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate?
The canonical SMILES for 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate is CCOC(=O)/C=C/c1ncc(OC)nc1N.COc1cnc(Cl)c(N)n1.
What is the InChIKey of 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate?
The InChIKey is BXWVIKFGTOCPBY-FXRZFVDSSA-N. The full InChI is InChI=1S/C10H13N3O3.C5H6ClN3O/c1-3-16-9(14)5-4-7-10(11)13-8(15-2)6-12-7;1-10-3-2-8-4(6)5(7)9-3/h4-6H,3H2,1-2H3,(H2,11,13);2H,1H3,(H2,7,9)/b5-4+;.
What are the key properties of 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate?
3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate has a molecular weight of 382.81 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methoxypyrazin-2-amine;ethyl (E)-3-(3-amino-5-methoxypyrazin-2-yl)prop-2-enoate is sourced from PubChem (CID 157496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).