2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine

C23H23N7O2 — CID 2981500

IUPAC2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Oc3ccc(OCc4ccccc4)nn3)nc(N(C)C)n2)cc1
InChIInChI=1S/C23H23N7O2/c1-16-9-11-18(12-10-16)24-21-25-22(30(2)3)27-23(26-21)32-20-14-13-19(28-29-20)31-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,24,25,26,27)
InChIKeyJNRMPAWPKPNVDS-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.15
Rot. Bonds8

About 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine (PubChem CID 2981500) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
PubChem CID2981500
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Nc2nc(Oc3ccc(OCc4ccccc4)nn3)nc(N(C)C)n2)cc1
InChIInChI=1S/C23H23N7O2/c1-16-9-11-18(12-10-16)24-21-25-22(30(2)3)27-23(26-21)32-20-14-13-19(28-29-20)31-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,24,25,26,27)
InChIKeyJNRMPAWPKPNVDS-UHFFFAOYSA-N
XLogP4.15
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine (CID 2981500) is 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine is Cc1ccc(Nc2nc(Oc3ccc(OCc4ccccc4)nn3)nc(N(C)C)n2)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
The InChIKey is JNRMPAWPKPNVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-16-9-11-18(12-10-16)24-21-25-22(30(2)3)27-23(26-21)32-20-14-13-19(28-29-20)31-15-17-7-5-4-6-8-17/h4-14H,15H2,1-3H3,(H,24,25,26,27).
What are the key properties of 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine has a molecular weight of 429.48 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(4-methylphenyl)-6-(6-phenylmethoxypyridazin-3-yl)oxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2981500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).