3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane

C16H22ClN7O — CID 153371782

IUPAC3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
SMILESCC.Cc1ccc(CNc2nc(N)c(C(=O)N=C(N)N)nc2Cl)cc1
InChIInChI=1S/C14H16ClN7O.C2H6/c1-7-2-4-8(5-3-7)6-19-12-10(15)20-9(11(16)21-12)13(23)22-14(17)18;1-2/h2-5H,6H2,1H3,(H3,16,19,21)(H4,17,18,22,23);1-2H3
InChIKeyAFCPDEYDRXGENL-UHFFFAOYSA-N
MW363.85 g/mol
LogP2.07
Rot. Bonds4

About 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane

3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane (PubChem CID 153371782) has the molecular formula C16H22ClN7O and a molecular weight of 363.85 g/mol. Its IUPAC name is 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane.

Molecular Properties

Compound Name3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
PubChem CID153371782
Molecular FormulaC16H22ClN7O
Molecular Weight363.85 g/mol
Exact Mass363.16
IUPAC Name3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane
SMILESCC.Cc1ccc(CNc2nc(N)c(C(=O)N=C(N)N)nc2Cl)cc1
InChIInChI=1S/C14H16ClN7O.C2H6/c1-7-2-4-8(5-3-7)6-19-12-10(15)20-9(11(16)21-12)13(23)22-14(17)18;1-2/h2-5H,6H2,1H3,(H3,16,19,21)(H4,17,18,22,23);1-2H3
InChIKeyAFCPDEYDRXGENL-UHFFFAOYSA-N
XLogP2.07
TPSA145.30 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 52.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 57394421
3-[[6-amino-3-chloro-5-(diaminomethylidenecarbamoyl)pyrazin-2-yl]amino]propanoic acid;hydrochloride
CID 57396266
[3-amino-6-chloro-5-[(4-methylphenyl)methylamino]pyrazin-2-yl]methanone;ethane;yttrium
CID 159495116
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide;methanesulfonic acid
CID 175022867
2-chloro-4-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 154628333
3-amino-6-chloro-5-(ethylamino)pyrazine-2-carboxamide
CID 130008687
CID 58385786
CID 58385786
3-amino-N-[amino-(propanoylamino)methylidene]-6-chloro-5-(methylamino)pyrazine-2-carboxamide
CID 88911387
3-amino-6-chloro-5-[(4-chlorophenyl)methylamino]-N-[N'-[[1-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide
CID 167282660
2-tert-butyl-6-chloro-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5-diamine
CID 82459346
3-amino-6-chloro-5-[(4-fluorophenyl)methylamino]-N-[N'-[[1-(2-phenylethyl)piperidin-4-yl]methyl]carbamimidoyl]pyrazine-2-carboxamide
CID 167282643
CID 58385780
CID 58385780

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane?
The IUPAC name of 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane (CID 153371782) is 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane.
What is the SMILES notation for 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane?
The canonical SMILES for 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane is CC.Cc1ccc(CNc2nc(N)c(C(=O)N=C(N)N)nc2Cl)cc1.
What is the InChIKey of 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane?
The InChIKey is AFCPDEYDRXGENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN7O.C2H6/c1-7-2-4-8(5-3-7)6-19-12-10(15)20-9(11(16)21-12)13(23)22-14(17)18;1-2/h2-5H,6H2,1H3,(H3,16,19,21)(H4,17,18,22,23);1-2H3.
What are the key properties of 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane?
3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane has a molecular weight of 363.85 g/mol, XLogP of 2.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-N-(diaminomethylidene)-5-[(4-methylphenyl)methylamino]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 153371782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).