2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

C18H19N7O — CID 6244542

IUPAC2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N/N=C\c2ccc(OC)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H19N7O/c1-19-16-22-17(21-14-6-4-3-5-7-14)24-18(23-16)25-20-12-13-8-10-15(26-2)11-9-13/h3-12H,1-2H3,(H3,19,21,22,23,24,25)/b20-12-
InChIKeyRCJGVUUQTITKOR-NDENLUEZSA-N
MW349.40 g/mol
LogP3.11
Rot. Bonds7

About 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine

2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 6244542) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID6244542
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(N/N=C\c2ccc(OC)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H19N7O/c1-19-16-22-17(21-14-6-4-3-5-7-14)24-18(23-16)25-20-12-13-8-10-15(26-2)11-9-13/h3-12H,1-2H3,(H3,19,21,22,23,24,25)/b20-12-
InChIKeyRCJGVUUQTITKOR-NDENLUEZSA-N
XLogP3.11
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 53.11
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'}

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Related Compounds

1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
2-[(E)-(2-{4-(dimethylamino)-6-[(4-fluorophenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
CID 135460597
4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazinylidene)methyl]phenol
CID 135479358
6-(4-methoxyphenyl)-4-N-methyl-2-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 164613485
2-N,2-N-diethyl-4-N-[(2-methoxy-3-nitrophenyl)methylideneamino]-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 4274300
4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-2-N-[(3-nitrophenyl)methylideneamino]-1,3,5-triazine-2,4,6-triamine
CID 4371985
2-N-[(3-fluorophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 4618151
4-Methoxybenzaldehyde (4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazone
CID 9595403
{4-[(E)-{2-[4-(phenylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazinylidene}methyl]phenoxy}acetic acid
CID 9605854
4-Methoxy-3-nitrobenzaldehyde (4-anilino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)hydrazone
CID 9612089
3,4-Dimethoxybenzaldehyde [4-anilino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]hydrazone
CID 9675585
2-N-[(3-iodophenyl)methylideneamino]-4-N-(4-methoxyphenyl)-6-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
CID 52944175

Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine (CID 6244542) is 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(N/N=C\c2ccc(OC)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RCJGVUUQTITKOR-NDENLUEZSA-N. The full InChI is InChI=1S/C18H19N7O/c1-19-16-22-17(21-14-6-4-3-5-7-14)24-18(23-16)25-20-12-13-8-10-15(26-2)11-9-13/h3-12H,1-2H3,(H3,19,21,22,23,24,25)/b20-12-.
What are the key properties of 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine?
2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 349.40 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-(4-methoxyphenyl)methylideneamino]-6-N-methyl-4-N-phenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 6244542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).