6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine

C12H14N6O2 — CID 80899344

IUPAC6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H14N6O2/c1-8-3-2-4-9(5-8)6-14-11-10(18(19)20)12(17-13)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyZWWPINPMHQUDQY-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.59
Rot. Bonds5

About 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine

6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine (PubChem CID 80899344) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
PubChem CID80899344
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc(NN)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H14N6O2/c1-8-3-2-4-9(5-8)6-14-11-10(18(19)20)12(17-13)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyZWWPINPMHQUDQY-UHFFFAOYSA-N
XLogP1.59
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-hydrazinyl-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 23481340
4-N-[(3-fluorophenyl)methyl]-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 112726833
6-hydrazinyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 80902807
4-N-[(3-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 80771132
4-N-benzyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487265
4-N-[(4-chlorophenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22534610
N-benzyl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488119
4-N-tert-butyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23478760
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
5-bromo-N-[(3-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903272
6-hydrazinyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114185580
N-[(2,5-difluorophenyl)methyl]-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80907475

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine (CID 80899344) is 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine is Cc1cccc(CNc2ncnc(NN)c2[N+](=O)[O-])c1.
What is the InChIKey of 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine?
The InChIKey is ZWWPINPMHQUDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-8-3-2-4-9(5-8)6-14-11-10(18(19)20)12(17-13)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine?
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine has a molecular weight of 274.28 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80899344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).