3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one

C13H15N5O3 — CID 63770628

IUPAC3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cc([N+](=O)[O-])ccc2NN)c(C)n1
InChIInChI=1S/C13H15N5O3/c1-8-5-13(19)17(9(2)15-8)7-10-6-11(18(20)21)3-4-12(10)16-14/h3-6,16H,7,14H2,1-2H3
InChIKeyFOLLBEGNVQBBBR-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.10
Rot. Bonds4

About 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one

3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63770628) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63770628
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(Cc2cc([N+](=O)[O-])ccc2NN)c(C)n1
InChIInChI=1S/C13H15N5O3/c1-8-5-13(19)17(9(2)15-8)7-10-6-11(18(20)21)3-4-12(10)16-14/h3-6,16H,7,14H2,1-2H3
InChIKeyFOLLBEGNVQBBBR-UHFFFAOYSA-N
XLogP1.10
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
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

[2-(azepan-1-ylmethyl)-4-nitrophenyl]hydrazine
CID 62244610
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-methylpiperidin-2-one
CID 104680423
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-3-propan-2-ylimidazol-2-one
CID 80580461
[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-4-nitrophenyl]hydrazine
CID 63482048
[2-[(4,4-dimethylazepan-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 65281765
[2-[(2-ethylimidazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244833
2-[(2-hydrazinyl-5-nitrophenyl)methylsulfanyl]pyrimidine-4,6-diamine
CID 62251379
[2-[(4-bromopyrazol-1-yl)methyl]-4-nitrophenyl]hydrazine
CID 62244286
(2-methyl-5-nitrophenyl)hydrazine
CID 3918674
[4-nitro-2-[(4-propan-2-ylpiperidin-1-yl)methyl]phenyl]hydrazine
CID 103502418
[2-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)-4-nitrophenyl]hydrazine
CID 62245888
1-[(2-hydrazinyl-5-nitrophenyl)methyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512782

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one (CID 63770628) is 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(Cc2cc([N+](=O)[O-])ccc2NN)c(C)n1.
What is the InChIKey of 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is FOLLBEGNVQBBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-5-13(19)17(9(2)15-8)7-10-6-11(18(20)21)3-4-12(10)16-14/h3-6,16H,7,14H2,1-2H3.
What are the key properties of 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one?
3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 289.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydrazinyl-5-nitrophenyl)methyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63770628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).