1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine

C21H23N5O — CID 178045491

IUPAC1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine
SMILES[H]/N=C/c1cc(-c2cnccn2)ccc1NC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C21H23N5O/c1-14(23)21(15-3-6-18(27-2)7-4-15)26-19-8-5-16(11-17(19)12-22)20-13-24-9-10-25-20/h3-14,21-22,26H,23H2,1-2H3/b22-12+
InChIKeyHNFUMTWXINQTRC-WSDLNYQXSA-N
MW361.45 g/mol
LogP3.65
Rot. Bonds7

About 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine

1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine (PubChem CID 178045491) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine
PubChem CID178045491
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine
SMILES[H]/N=C/c1cc(-c2cnccn2)ccc1NC(c1ccc(OC)cc1)C(C)N
InChIInChI=1S/C21H23N5O/c1-14(23)21(15-3-6-18(27-2)7-4-15)26-19-8-5-16(11-17(19)12-22)20-13-24-9-10-25-20/h3-14,21-22,26H,23H2,1-2H3/b22-12+
InChIKeyHNFUMTWXINQTRC-WSDLNYQXSA-N
XLogP3.65
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
1-(4-methoxyphenyl)-2-pyrazin-2-ylsulfanylpropan-1-amine
CID 64627830
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
CID 166511370
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
CID 22391578
4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
N-[(2-methoxy-5-pyrazin-2-ylphenyl)methyl]propan-2-amine
CID 63970454
N-iodo-2-methanimidoyl-4-pyridin-3-ylaniline
CID 88917763
4-[2-amino-1-(3-methoxyphenyl)propoxy]-N-(4-fluorophenyl)-2-methanimidoylaniline
CID 123639319
2-(3-fluoro-5-methoxyphenyl)pyrazine
CID 166161834
4-[4-[3-(ethylamino)-4-methanimidoylphenoxy]-2-pyridinyl]-2-methylbenzamide
CID 171537255
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 175083824

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine (CID 178045491) is 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine is [H]/N=C/c1cc(-c2cnccn2)ccc1NC(c1ccc(OC)cc1)C(C)N.
What is the InChIKey of 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine?
The InChIKey is HNFUMTWXINQTRC-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14(23)21(15-3-6-18(27-2)7-4-15)26-19-8-5-16(11-17(19)12-22)20-13-24-9-10-25-20/h3-14,21-22,26H,23H2,1-2H3/b22-12+.
What are the key properties of 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine?
1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine has a molecular weight of 361.45 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methanimidoyl-4-pyrazin-2-ylphenyl)-1-(4-methoxyphenyl)propane-1,2-diamine is sourced from PubChem (CID 178045491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).