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

C17H18N6O — CID 19144334

IUPAC4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(NNc3ccccc3)c2N)cc1
InChIInChI=1S/C17H18N6O/c1-24-14-9-7-12(8-10-14)21-16-15(18)17(20-11-19-16)23-22-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyULEHJWFQJFTOBU-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.25
Rot. Bonds6

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

4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19144334) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19144334
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOc1ccc(Nc2ncnc(NNc3ccccc3)c2N)cc1
InChIInChI=1S/C17H18N6O/c1-24-14-9-7-12(8-10-14)21-16-15(18)17(20-11-19-16)23-22-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyULEHJWFQJFTOBU-UHFFFAOYSA-N
XLogP3.25
TPSA97.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,5-dimethoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19142678
4-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19137145
4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144325
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
4-[[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]amino]benzoic acid
CID 19144421
4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19138906
N'-[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]-2-chlorobenzohydrazide
CID 19149115
6-N-(4-methoxyphenyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19149157
4-[[5-amino-6-[2-(4-methoxybenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid
CID 19151801
1-[4-[[5-amino-6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]ethanone
CID 19149093
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322
4-N-(2,3-dichlorophenyl)-6-N-(4-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19146842

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (CID 19144334) is 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is COc1ccc(Nc2ncnc(NNc3ccccc3)c2N)cc1.
What is the InChIKey of 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is ULEHJWFQJFTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-24-14-9-7-12(8-10-14)21-16-15(18)17(20-11-19-16)23-22-13-5-3-2-4-6-13/h2-11,22H,18H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 322.37 g/mol, XLogP of 3.25, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).