[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine

C13H16BrN5S — CID 81000777

IUPAC[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(Sc2ncccc2Br)n1
InChIInChI=1S/C13H16BrN5S/c1-3-5-10-17-11(19-15)8(2)12(18-10)20-13-9(14)6-4-7-16-13/h4,6-7H,3,5,15H2,1-2H3,(H,17,18,19)
InChIKeyNIVFCDQJXOEYDE-UHFFFAOYSA-N
MW354.28 g/mol
LogP3.33
Rot. Bonds5

About [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine

[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine (PubChem CID 81000777) has the molecular formula C13H16BrN5S and a molecular weight of 354.28 g/mol. Its IUPAC name is [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
PubChem CID81000777
Molecular FormulaC13H16BrN5S
Molecular Weight354.28 g/mol
Exact Mass353.03
IUPAC Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
SMILESCCCc1nc(NN)c(C)c(Sc2ncccc2Br)n1
InChIInChI=1S/C13H16BrN5S/c1-3-5-10-17-11(19-15)8(2)12(18-10)20-13-9(14)6-4-7-16-13/h4,6-7H,3,5,15H2,1-2H3,(H,17,18,19)
InChIKeyNIVFCDQJXOEYDE-UHFFFAOYSA-N
XLogP3.33
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[6-(3-chlorophenyl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001570
[6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81001759
N,5-dimethyl-2-propyl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80991399
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
[5-methyl-6-(2-methylbutylsulfanyl)-2-propylpyrimidin-4-yl]hydrazine
CID 107766364
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80929584
[2-ethyl-5-methyl-6-(2-methylphenyl)sulfanylpyrimidin-4-yl]hydrazine
CID 81001116
(6-cyclohexylsulfanyl-5-methyl-2-propylpyrimidin-4-yl)hydrazine
CID 81001237
4-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80890440
N-[2-(5-bromothiophen-2-yl)ethyl]-6-hydrazinyl-5-methyl-2-propylpyrimidin-4-amine
CID 106043930
6-hydrazinyl-5-methyl-N-(2-methylpropyl)-2-propylpyrimidin-4-amine
CID 81001135
N-ethyl-5-methyl-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-2-propylpyrimidin-4-amine
CID 80989868

Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine (CID 81000777) is [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine is CCCc1nc(NN)c(C)c(Sc2ncccc2Br)n1.
What is the InChIKey of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
The InChIKey is NIVFCDQJXOEYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5S/c1-3-5-10-17-11(19-15)8(2)12(18-10)20-13-9(14)6-4-7-16-13/h4,6-7H,3,5,15H2,1-2H3,(H,17,18,19).
What are the key properties of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine?
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine has a molecular weight of 354.28 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 81000777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).