[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine

C12H14BrN5S — CID 80929584

IUPAC[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Sc1ncccc1Br
InChIInChI=1S/C12H14BrN5S/c1-7(2)9-10(18-14)16-6-17-12(9)19-11-8(13)4-3-5-15-11/h3-7H,14H2,1-2H3,(H,16,17,18)
InChIKeyRTOFXLVQDWNKOK-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.19
Rot. Bonds4

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

[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine (PubChem CID 80929584) has the molecular formula C12H14BrN5S and a molecular weight of 340.25 g/mol. Its IUPAC name is [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
PubChem CID80929584
Molecular FormulaC12H14BrN5S
Molecular Weight340.25 g/mol
Exact Mass339.02
IUPAC Name[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
SMILESCC(C)c1c(NN)ncnc1Sc1ncccc1Br
InChIInChI=1S/C12H14BrN5S/c1-7(2)9-10(18-14)16-6-17-12(9)19-11-8(13)4-3-5-15-11/h3-7H,14H2,1-2H3,(H,16,17,18)
InChIKeyRTOFXLVQDWNKOK-UHFFFAOYSA-N
XLogP3.19
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.19
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-(2-bromophenyl)sulfanyl-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80888128
6-[(3-bromo-2-pyridinyl)sulfanyl]-5-ethyl-N-methylpyrimidin-4-amine
CID 80890612
6-[(3-chloro-2-pyridinyl)sulfanyl]-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80888443
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-ethyl-5-propylpyrimidin-4-amine
CID 80890169
[6-(3,4-dimethylphenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80931234
[6-(3,4-difluorophenyl)sulfanyl-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80926034
[6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923681
5-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 80930893
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-methyl-2-propylpyrimidin-4-yl]hydrazine
CID 81000777
ethyl 2-(6-hydrazinyl-5-propan-2-ylpyrimidin-4-yl)sulfanylacetate
CID 80923701
N-methyl-5-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80888546
[6-[(2-methyl-3-pyridinyl)oxy]-5-propan-2-ylpyrimidin-4-yl]hydrazine
CID 80923375

Frequently Asked Questions

What is the IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The IUPAC name of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine (CID 80929584) is [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine.
What is the SMILES notation for [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The canonical SMILES for [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine is CC(C)c1c(NN)ncnc1Sc1ncccc1Br.
What is the InChIKey of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine?
The InChIKey is RTOFXLVQDWNKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN5S/c1-7(2)9-10(18-14)16-6-17-12(9)19-11-8(13)4-3-5-15-11/h3-7H,14H2,1-2H3,(H,16,17,18).
What are the key properties of [6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine?
[6-[(3-bromo-2-pyridinyl)sulfanyl]-5-propan-2-ylpyrimidin-4-yl]hydrazine has a molecular weight of 340.25 g/mol, XLogP of 3.19, 4 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-propan-2-ylpyrimidin-4-yl]hydrazine is sourced from PubChem (CID 80929584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).