9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine

C18H15N7O — CID 6539725

IUPAC9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine
SMILESCOc1cccc(-n2cnc3c(N/N=C\c4ccncc4)ncnc32)c1
InChIInChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-12-22-16-17(20-11-21-18(16)25)24-23-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b23-10-
InChIKeyVARGUUBRJVQGHK-RMORIDSASA-N
MW345.37 g/mol
LogP2.67
Rot. Bonds5

About 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine

9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine (PubChem CID 6539725) has the molecular formula C18H15N7O and a molecular weight of 345.37 g/mol. Its IUPAC name is 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine.

Molecular Properties

Compound Name9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine
PubChem CID6539725
Molecular FormulaC18H15N7O
Molecular Weight345.37 g/mol
Exact Mass345.13
IUPAC Name9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine
SMILESCOc1cccc(-n2cnc3c(N/N=C\c4ccncc4)ncnc32)c1
InChIInChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-12-22-16-17(20-11-21-18(16)25)24-23-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b23-10-
InChIKeyVARGUUBRJVQGHK-RMORIDSASA-N
XLogP2.67
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
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)-N-(pyridin-4-ylmethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 78416977
1-(3-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methylideneamino]pyrazolo[3,4-d]pyrimidin-4-amine
CID 77313057
1-(3-methoxyphenyl)-3-methyl-N-(1-pyridin-4-ylethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239943
1-[3-(propylamino)phenyl]-N-(pyridin-4-ylmethylideneamino)pyrazolo[3,4-d]pyrimidin-4-amine
CID 53239979
N-(2,3-dihydro-1-benzofuran-5-ylmethylideneamino)-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 77313168
N-[(3-methylphenyl)methylideneamino]-1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175967320
9-methyl-N-(thiophen-2-ylmethylideneamino)purin-6-amine
CID 4889823
4-N-[(4-methoxyphenyl)methylideneamino]-5-nitropyrimidine-4,6-diamine
CID 4091220
3-[(E)-[[1-(4-methoxyphenyl)-3-methylsulfanylpyrazolo[3,4-d]pyrimidin-4-yl]hydrazinylidene]methyl]phenol
CID 70693356
N-[(E)-1H-indol-3-ylmethylideneamino]-1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 142854342
4-[(E)-[[6-(3-methoxyphenyl)-7-methylthieno[3,2-d]pyrimidin-4-yl]hydrazinylidene]methyl]benzoic acid
CID 10223767
9-(1,5-dimethylpyrazol-3-yl)-8-methyl-N-[(3-methylphenyl)methylideneamino]purin-6-amine
CID 175967432

Frequently Asked Questions

What is the IUPAC name of 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine?
The IUPAC name of 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine (CID 6539725) is 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine.
What is the SMILES notation for 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine?
The canonical SMILES for 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine is COc1cccc(-n2cnc3c(N/N=C\c4ccncc4)ncnc32)c1.
What is the InChIKey of 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine?
The InChIKey is VARGUUBRJVQGHK-RMORIDSASA-N. The full InChI is InChI=1S/C18H15N7O/c1-26-15-4-2-3-14(9-15)25-12-22-16-17(20-11-21-18(16)25)24-23-10-13-5-7-19-8-6-13/h2-12H,1H3,(H,20,21,24)/b23-10-.
What are the key properties of 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine?
9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine has a molecular weight of 345.37 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-methoxyphenyl)-N-[(Z)-pyridin-4-ylmethylideneamino]purin-6-amine is sourced from PubChem (CID 6539725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).