4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine

C17H18N6 — CID 19144322

IUPAC4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C17H18N6/c1-12-7-5-6-10-14(12)21-16-15(18)17(20-11-19-16)23-22-13-8-3-2-4-9-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyNFBPDZBHLJMMPU-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.55
Rot. Bonds5

About 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine

4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19144322) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19144322
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCc1ccccc1Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C17H18N6/c1-12-7-5-6-10-14(12)21-16-15(18)17(20-11-19-16)23-22-13-8-3-2-4-9-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyNFBPDZBHLJMMPU-UHFFFAOYSA-N
XLogP3.55
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144343
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
N'-[5-amino-6-(2-methylanilino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 19147812
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid
CID 19144421
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (CID 19144322) is 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is Cc1ccccc1Nc1ncnc(NNc2ccccc2)c1N.
What is the InChIKey of 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is NFBPDZBHLJMMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-12-7-5-6-10-14(12)21-16-15(18)17(20-11-19-16)23-22-13-8-3-2-4-9-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.55, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).