6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine

C27H27N7O — CID 139976033

IUPAC6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
SMILESCOc1ccccc1Nc1cc(NN=Cc2ccc(C)cc2)nc(NN=Cc2ccc(C)cc2)n1
InChIInChI=1S/C27H27N7O/c1-19-8-12-21(13-9-19)17-28-33-26-16-25(30-23-6-4-5-7-24(23)35-3)31-27(32-26)34-29-18-22-14-10-20(2)11-15-22/h4-18H,1-3H3,(H3,30,31,32,33,34)
InChIKeyBLEFNKLTMLBJAV-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.74
Rot. Bonds9

About 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine

6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine (PubChem CID 139976033) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
PubChem CID139976033
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
SMILESCOc1ccccc1Nc1cc(NN=Cc2ccc(C)cc2)nc(NN=Cc2ccc(C)cc2)n1
InChIInChI=1S/C27H27N7O/c1-19-8-12-21(13-9-19)17-28-33-26-16-25(30-23-6-4-5-7-24(23)35-3)31-27(32-26)34-29-18-22-14-10-20(2)11-15-22/h4-18H,1-3H3,(H3,30,31,32,33,34)
InChIKeyBLEFNKLTMLBJAV-UHFFFAOYSA-N
XLogP5.74
TPSA95.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

4-[[[2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976159
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976692
2-N,4-N-bis[(2-fluorophenyl)methylideneamino]-6-N-(2-methoxyphenyl)pyrimidine-2,4,6-triamine
CID 139976572
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(3-nitrophenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976518
2-[[[2-[2-[(2-hydroxy-4-methoxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]-5-methoxyphenol
CID 139976686
5-[[[2-[2-[(5-carboxyfuran-2-yl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]furan-2-carboxylic acid
CID 139976503
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(1-methylimidazol-2-yl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976179
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976229
2-N,4-N-bis[[4-fluoro-2-(trifluoromethyl)phenyl]methylideneamino]-6-N-(2-methoxyphenyl)pyrimidine-2,4,6-triamine
CID 139976010
2,4-dichloro-6-[[[2-[2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-6-(2-methoxyanilino)pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976647
2-N,4-N-bis[[2-fluoro-5-(trifluoromethyl)phenyl]methylideneamino]-6-N-(2-methoxyphenyl)pyrimidine-2,4,6-triamine
CID 139976356
4-N,6-N-bis(4-methylphenyl)-2-N-[(3,4,5-trimethoxyphenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 3720446

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine (CID 139976033) is 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine is COc1ccccc1Nc1cc(NN=Cc2ccc(C)cc2)nc(NN=Cc2ccc(C)cc2)n1.
What is the InChIKey of 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine?
The InChIKey is BLEFNKLTMLBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O/c1-19-8-12-21(13-9-19)17-28-33-26-16-25(30-23-6-4-5-7-24(23)35-3)31-27(32-26)34-29-18-22-14-10-20(2)11-15-22/h4-18H,1-3H3,(H3,30,31,32,33,34).
What are the key properties of 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine?
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine has a molecular weight of 465.56 g/mol, XLogP of 5.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 139976033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).