(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine

C25H32N8O — CID 167262322

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncnc(-c3ccccc3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C25H32N8O/c1-17-22(34-19-11-7-4-8-12-19)14-13-20(31-17)23(26)21(33(2)27)15-28-25-30-16-29-24(32-25)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15,26-27H2,1-2H3,(H,28,29,30,32)/b23-21-
InChIKeyZEXHXIFAYOFWPM-LNVKXUELSA-N
MW460.59 g/mol
LogP3.50
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine

(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine (PubChem CID 167262322) has the molecular formula C25H32N8O and a molecular weight of 460.59 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
PubChem CID167262322
Molecular FormulaC25H32N8O
Molecular Weight460.59 g/mol
Exact Mass460.27
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncnc(-c3ccccc3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C25H32N8O/c1-17-22(34-19-11-7-4-8-12-19)14-13-20(31-17)23(26)21(33(2)27)15-28-25-30-16-29-24(32-25)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15,26-27H2,1-2H3,(H,28,29,30,32)/b23-21-
InChIKeyZEXHXIFAYOFWPM-LNVKXUELSA-N
XLogP3.50
TPSA128.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.59
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine?
The IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine (CID 167262322) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine?
The canonical SMILES for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine is Cc1nc(/C(N)=C(\CNc2ncnc(-c3ccccc3)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine?
The InChIKey is ZEXHXIFAYOFWPM-LNVKXUELSA-N. The full InChI is InChI=1S/C25H32N8O/c1-17-22(34-19-11-7-4-8-12-19)14-13-20(31-17)23(26)21(33(2)27)15-28-25-30-16-29-24(32-25)18-9-5-3-6-10-18/h3,5-6,9-10,13-14,16,19H,4,7-8,11-12,15,26-27H2,1-2H3,(H,28,29,30,32)/b23-21-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine?
(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine has a molecular weight of 460.59 g/mol, XLogP of 3.50, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-(4-phenyl-1,3,5-triazin-2-yl)prop-1-ene-1,3-diamine is sourced from PubChem (CID 167262322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).