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

C23H34N8O — CID 167262674

IUPAC(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncnc(C3(C)CC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H34N8O/c1-15-19(32-16-7-5-4-6-8-16)10-9-17(29-15)20(24)18(31(3)25)13-26-22-28-14-27-21(30-22)23(2)11-12-23/h9-10,14,16H,4-8,11-13,24-25H2,1-3H3,(H,26,27,28,30)/b20-18-
InChIKeyHWKYGUWEFYIHTF-ZZEZOPTASA-N
MW438.58 g/mol
LogP2.88
Rot. Bonds8

About (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine (PubChem CID 167262674) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
PubChem CID167262674
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Name(Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine
SMILESCc1nc(/C(N)=C(\CNc2ncnc(C3(C)CC3)n2)N(C)N)ccc1OC1CCCCC1
InChIInChI=1S/C23H34N8O/c1-15-19(32-16-7-5-4-6-8-16)10-9-17(29-15)20(24)18(31(3)25)13-26-22-28-14-27-21(30-22)23(2)11-12-23/h9-10,14,16H,4-8,11-13,24-25H2,1-3H3,(H,26,27,28,30)/b20-18-
InChIKeyHWKYGUWEFYIHTF-ZZEZOPTASA-N
XLogP2.88
TPSA128.10 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 52.88
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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine (CID 167262674) is (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine is Cc1nc(/C(N)=C(\CNc2ncnc(C3(C)CC3)n2)N(C)N)ccc1OC1CCCCC1.
What is the InChIKey of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine?
The InChIKey is HWKYGUWEFYIHTF-ZZEZOPTASA-N. The full InChI is InChI=1S/C23H34N8O/c1-15-19(32-16-7-5-4-6-8-16)10-9-17(29-15)20(24)18(31(3)25)13-26-22-28-14-27-21(30-22)23(2)11-12-23/h9-10,14,16H,4-8,11-13,24-25H2,1-3H3,(H,26,27,28,30)/b20-18-.
What are the key properties of (Z)-2-[amino(methyl)amino]-1-(5-cyclohexyloxy-6-methyl-2-pyridinyl)-N'-[4-(1-methylcyclopropyl)-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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine has a molecular weight of 438.58 g/mol, XLogP of 2.88, 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-(1-methylcyclopropyl)-1,3,5-triazin-2-yl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167262674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).