6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine

C16H23N5 — CID 115916187

IUPAC6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
SMILESCC(C)CCCNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-12(2)7-6-10-18-14-11-15(21-17)20-16(19-14)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyUVUIVXCXCHNZOI-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.28
Rot. Bonds7

About 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine

6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine (PubChem CID 115916187) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
PubChem CID115916187
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine
SMILESCC(C)CCCNc1cc(NN)nc(-c2ccccc2)n1
InChIInChI=1S/C16H23N5/c1-12(2)7-6-10-18-14-11-15(21-17)20-16(19-14)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10,17H2,1-2H3,(H2,18,19,20,21)
InChIKeyUVUIVXCXCHNZOI-UHFFFAOYSA-N
XLogP3.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethanol
CID 112559967
6-hydrazinyl-N-(2-methoxyethyl)-2-phenylpyrimidin-4-amine
CID 112559970
N-(2-ethoxyethyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 115916133
N-(2,2-dimethylpropyl)-6-hydrazinyl-2-phenylpyrimidin-4-amine
CID 113353653
6-hydrazinyl-N-(2-methyl-3-methylsulfanylpropyl)-2-phenylpyrimidin-4-amine
CID 115916202
5-[(6-amino-2-phenylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106163239
4-N-cyclopentyl-6-N-(3-methylbutyl)-2-phenylpyrimidine-4,6-diamine
CID 112880067
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
(6-ethyl-2-phenylpyrimidin-4-yl)hydrazine
CID 62252566
2-[2-[(6-hydrazinyl-2-phenylpyrimidin-4-yl)amino]ethoxy]ethanol
CID 115916179
6-hydrazinyl-N-(3-methylpentan-2-yl)-2-phenylpyrimidin-4-amine
CID 115916157
N-ethyl-6-hydrazinyl-N-(2-methylpropyl)-2-phenylpyrimidin-4-amine
CID 115916099

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine (CID 115916187) is 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine is CC(C)CCCNc1cc(NN)nc(-c2ccccc2)n1.
What is the InChIKey of 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine?
The InChIKey is UVUIVXCXCHNZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)7-6-10-18-14-11-15(21-17)20-16(19-14)13-8-4-3-5-9-13/h3-5,8-9,11-12H,6-7,10,17H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine?
6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(4-methylpentyl)-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).