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

C26H25N7O2 — CID 139976229

IUPAC2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
SMILESCOc1ccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H25N7O2/c1-34-22-12-8-19(9-13-22)17-27-32-25-16-24(29-21-6-4-3-5-7-21)30-26(31-25)33-28-18-20-10-14-23(35-2)15-11-20/h3-18H,1-2H3,(H3,29,30,31,32,33)
InChIKeyMQHJKWVWJDRWLO-UHFFFAOYSA-N
MW467.53 g/mol
LogP5.13
Rot. Bonds10

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

2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine (PubChem CID 139976229) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
PubChem CID139976229
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine
SMILESCOc1ccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3ccc(OC)cc3)n2)cc1
InChIInChI=1S/C26H25N7O2/c1-34-22-12-8-19(9-13-22)17-27-32-25-16-24(29-21-6-4-3-5-7-21)30-26(31-25)33-28-18-20-10-14-23(35-2)15-11-20/h3-18H,1-2H3,(H3,29,30,31,32,33)
InChIKeyMQHJKWVWJDRWLO-UHFFFAOYSA-N
XLogP5.13
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 55.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(Z)-[4-[(Z)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenyl]methylideneamino]-4-N-(4-methoxyphenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 6288005
3-[[[6-anilino-2-[2-[(3-hydroxyphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 139976250
4-N-(4-chlorophenyl)-2-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
CID 143789926
4-[[[6-anilino-2-[2-[(4-hydroxy-3,5-dimethylphenyl)methylidene]hydrazinyl]pyrimidin-4-yl]hydrazinylidene]methyl]-2,6-dimethylphenol
CID 139976192
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(4-methylphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976033
6-N-(2-methoxyphenyl)-2-N,4-N-bis[(3-methoxyphenyl)methylideneamino]pyrimidine-2,4,6-triamine
CID 139976692
6-N-phenyl-2-N,4-N-bis[[2-(trifluoromethyl)phenyl]methylideneamino]pyrimidine-2,4,6-triamine
CID 139976380
2-N,4-N-bis[(5-methoxy-2,3-dihydroinden-1-ylidene)amino]-6-N-phenylpyrimidine-2,4,6-triamine
CID 139976385
N-[4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-6-methylpyrimidin-2-yl]benzenesulfonamide
CID 3700231
2-[(E)-[[4-anilino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 135419565
4-(4-bromophenyl)-N-[(4-methoxyphenyl)methylideneamino]-6-phenylpyrimidin-2-amine
CID 3092304
4-[(E)-[(4,6-dianilino-1,3,5-triazin-2-yl)hydrazinylidene]methyl]-2-methoxyphenol
CID 135489944

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine (CID 139976229) is 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine is COc1ccc(C=NNc2cc(Nc3ccccc3)nc(NN=Cc3ccc(OC)cc3)n2)cc1.
What is the InChIKey of 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine?
The InChIKey is MQHJKWVWJDRWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-34-22-12-8-19(9-13-22)17-27-32-25-16-24(29-21-6-4-3-5-7-21)30-26(31-25)33-28-18-20-10-14-23(35-2)15-11-20/h3-18H,1-2H3,(H3,29,30,31,32,33).
What are the key properties of 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine?
2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine has a molecular weight of 467.53 g/mol, XLogP of 5.13, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[(4-methoxyphenyl)methylideneamino]-6-N-phenylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 139976229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).