[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine

C13H15N5O2S — CID 80943848

IUPAC[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H15N5O2S/c1-2-5-11-15-12(17-14)8-13(16-11)21-10-7-4-3-6-9(10)18(19)20/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17)
InChIKeyAVDVFRZLZNFZSR-UHFFFAOYSA-N
MW305.36 g/mol
LogP2.77
Rot. Bonds6

About [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine

[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 80943848) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
PubChem CID80943848
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H15N5O2S/c1-2-5-11-15-12(17-14)8-13(16-11)21-10-7-4-3-6-9(10)18(19)20/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17)
InChIKeyAVDVFRZLZNFZSR-UHFFFAOYSA-N
XLogP2.77
TPSA106.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.77
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-ethyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 80939777
4-N-ethyl-6-(2-nitrophenyl)sulfanylpyrimidine-2,4-diamine
CID 80884456
[6-(2-nitrophenyl)sulfanylpyrazin-2-yl]hydrazine
CID 80921214
(2-propyl-6-pyrimidin-2-ylsulfanylpyrimidin-4-yl)hydrazine
CID 80947503
[6-(3-bromophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine
CID 80947692
[6-(2-methylpropylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 80947009
2-chloro-4-methyl-6-(2-nitrophenyl)sulfanylpyrimidine
CID 62480994
6-bromo-N-[(2-nitrophenyl)methyl]-2-propylpyrimidin-4-amine
CID 106194622
6-hydrazinyl-N-(1-phenylethyl)-2-propylpyrimidin-4-amine
CID 80947755
[6-methyl-2-[(2-nitrophenoxy)methyl]pyrimidin-4-yl]hydrazine
CID 80656024
(6-ethoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80947198
(6-phenoxy-2-propylpyrimidin-4-yl)hydrazine
CID 80946591

Frequently Asked Questions

What is the IUPAC name of [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine (CID 80943848) is [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)cc(Sc2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is AVDVFRZLZNFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-2-5-11-15-12(17-14)8-13(16-11)21-10-7-4-3-6-9(10)18(19)20/h3-4,6-8H,2,5,14H2,1H3,(H,15,16,17).
What are the key properties of [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine?
[6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 305.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-nitrophenyl)sulfanyl-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80943848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).