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

C17H18N6 — CID 19136176

IUPAC4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2)ncnc1NNc1ccccc1
InChIInChI=1S/C17H18N6/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11,18H2,(H2,19,20,21,23)
InChIKeyBLEQYWQELMSZDK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.11
Rot. Bonds6

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

4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (PubChem CID 19136176) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
PubChem CID19136176
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
SMILESNc1c(NCc2ccccc2)ncnc1NNc1ccccc1
InChIInChI=1S/C17H18N6/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11,18H2,(H2,19,20,21,23)
InChIKeyBLEQYWQELMSZDK-UHFFFAOYSA-N
XLogP3.11
TPSA87.89 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.11
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-(benzylamino)-6-(2-phenylhydrazinyl)pyrimidine-5-carbaldehyde
CID 110171468
4-N-benzyl-6-methylsulfanylpyrimidine-4,5-diamine
CID 130154555
6-N-benzyl-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544898
4-chloro-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 23477516
4-phenoxy-6-(2-phenylhydrazinyl)pyrimidin-5-amine
CID 19144376
6-N-benzyl-4-N-cyclohexylpyrimidine-4,5,6-triamine
CID 19135747
4-N-[(4-methylphenyl)methyl]-6-N-(2-phenylethyl)pyrimidine-4,5,6-triamine
CID 19138067
4-N-benzyl-6-(2-methoxyethoxy)pyrimidine-4,5-diamine
CID 82455310
6-N-benzyl-4-N-(3-chloro-4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22546566
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-benzyl-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542276
N-[(4-methylphenyl)methyl]-5-nitro-6-(2-phenylhydrazinyl)pyrimidin-4-amine
CID 22526677

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The IUPAC name of 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine (CID 19136176) is 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The canonical SMILES for 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is Nc1c(NCc2ccccc2)ncnc1NNc1ccccc1.
What is the InChIKey of 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
The InChIKey is BLEQYWQELMSZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c18-15-16(19-11-13-7-3-1-4-8-13)20-12-21-17(15)23-22-14-9-5-2-6-10-14/h1-10,12,22H,11,18H2,(H2,19,20,21,23).
What are the key properties of 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine?
4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine has a molecular weight of 306.37 g/mol, XLogP of 3.11, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19136176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).