5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine

C18H17N5O — CID 13492990

IUPAC5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N5O/c1-12-16(23-22-14-8-10-15(24-2)11-9-14)17(21-18(19)20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21)/b23-22+
InChIKeyBKHONUJNBWBAOK-GHVJWSGMSA-N
MW319.37 g/mol
LogP4.46
Rot. Bonds4

About 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine

5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine (PubChem CID 13492990) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
PubChem CID13492990
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
SMILESCOc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H17N5O/c1-12-16(23-22-14-8-10-15(24-2)11-9-14)17(21-18(19)20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21)/b23-22+
InChIKeyBKHONUJNBWBAOK-GHVJWSGMSA-N
XLogP4.46
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
5-benzyl-4-(4-methoxyphenyl)-6-phenylpyrimidin-2-amine
CID 139449783
6-methoxy-3-methyl-2-phenylquinoxaline
CID 15500862
5-benzyl-4,6-bis(4-methoxyphenyl)pyrimidin-2-amine
CID 139449734
(2,6-diphenyl-3-phenyldiazenyl-1H-imidazo[2,1-e]pyrazol-7-yl)-(4-methoxyphenyl)diazene
CID 136756425
4-[(4-methoxyphenyl)diazenyl]isoquinolin-3-amine
CID 134913471
2-amino-4-(4-methoxyphenyl)-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852097
2-amino-4-(4-methoxyphenyl)-N,6-dimethylpyrimidine-5-carboxamide
CID 54853982
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318
2-amino-4-(3-methoxyphenyl)-6-phenylpyrimidine-5-carbonitrile
CID 163196347
(4-methoxyphenyl)-(5-phenyldiazenyl-1H-pyrrol-2-yl)diazene
CID 136721271
bis(2-[(4-methoxyphenyl)diazenyl]benzenethiolate);nickel(2+)
CID 171977429

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine?
The IUPAC name of 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine (CID 13492990) is 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine.
What is the SMILES notation for 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine?
The canonical SMILES for 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine is COc1ccc(/N=N/c2c(C)nc(N)nc2-c2ccccc2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine?
The InChIKey is BKHONUJNBWBAOK-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H17N5O/c1-12-16(23-22-14-8-10-15(24-2)11-9-14)17(21-18(19)20-12)13-6-4-3-5-7-13/h3-11H,1-2H3,(H2,19,20,21)/b23-22+.
What are the key properties of 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine?
5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine has a molecular weight of 319.37 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine is sourced from PubChem (CID 13492990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).