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

C17H18N6O — CID 19144325

IUPAC4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C17H18N6O/c1-24-14-10-6-5-9-13(14)21-16-15(18)17(20-11-19-16)23-22-12-7-3-2-4-8-12/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyPCFNDVTXDJFZKT-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.25
Rot. Bonds6

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

4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19144325) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19144325
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESCOc1ccccc1Nc1ncnc(NNc2ccccc2)c1N
InChIInChI=1S/C17H18N6O/c1-24-14-10-6-5-9-13(14)21-16-15(18)17(20-11-19-16)23-22-12-7-3-2-4-8-12/h2-11,22H,18H2,1H3,(H2,19,20,21,23)
InChIKeyPCFNDVTXDJFZKT-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-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322
4-N-(4-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144334
6-N-(2-methoxyethyl)-4-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148143
4-N-cyclopentyl-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19148201
N'-[5-amino-6-(2-phenylhydrazinyl)pyrimidin-4-yl]-2-methoxybenzohydrazide
CID 19144360
4-N-(2-methoxyphenyl)-6-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,5,6-triamine
CID 19148195
4-N-(5-chloro-2-pyridinyl)-6-N-(2-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 19147076
4-N-(2-methoxyphenyl)-6-N-[(4-methoxyphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142555
2-methoxy-N-phenylaniline
CID 10910514
4-N-(2-methoxyphenyl)-6-morpholin-4-ylpyrimidine-4,5-diamine
CID 19137683
1-[5-amino-6-(2-methoxyanilino)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 19148218

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (CID 19144325) is 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is COc1ccccc1Nc1ncnc(NNc2ccccc2)c1N.
What is the InChIKey of 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is PCFNDVTXDJFZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c1-24-14-10-6-5-9-13(14)21-16-15(18)17(20-11-19-16)23-22-12-7-3-2-4-8-12/h2-11,22H,18H2,1H3,(H2,19,20,21,23).
What are the key properties of 4-N-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-(2-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-(2-methoxyphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19144325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).