4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine

C9H9IN4S — CID 66320758

IUPAC4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
SMILESCc1cc(Sc2ncncc2I)n(C)n1
InChIInChI=1S/C9H9IN4S/c1-6-3-8(14(2)13-6)15-9-7(10)4-11-5-12-9/h3-5H,1-2H3
InChIKeyQMPRURSYDUMXHB-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.27
Rot. Bonds2

About 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine

4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine (PubChem CID 66320758) has the molecular formula C9H9IN4S and a molecular weight of 332.17 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
PubChem CID66320758
Molecular FormulaC9H9IN4S
Molecular Weight332.17 g/mol
Exact Mass331.96
IUPAC Name4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine
SMILESCc1cc(Sc2ncncc2I)n(C)n1
InChIInChI=1S/C9H9IN4S/c1-6-3-8(14(2)13-6)15-9-7(10)4-11-5-12-9/h3-5H,1-2H3
InChIKeyQMPRURSYDUMXHB-UHFFFAOYSA-N
XLogP2.27
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-ethylpyrimidin-4-amine
CID 80889243
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80889068
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-2-amine
CID 80889411
5-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-1H-pyrimidin-6-one
CID 114791175
3-bromo-2-(2,5-dimethylpyrazol-3-yl)sulfanylpyridine
CID 55208915
2-(2,5-dimethylpyrazol-3-yl)sulfanylpyrimidin-4-amine
CID 116798270
5-(2,5-dimethylpyrazol-3-yl)sulfanylpyrazin-2-amine
CID 80663969
4-ethylsulfanyl-5-iodopyrimidine
CID 66318489
6-(2,5-dimethylpyrazol-3-yl)sulfanylpyridin-3-amine
CID 62409540
8-(2,5-dimethylpyrazol-3-yl)sulfanylimidazo[1,2-a]pyrazin-6-amine
CID 80889244
5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
CID 66319398
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N,2,5-trimethylpyrimidin-4-amine
CID 80889836

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine?
The IUPAC name of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine (CID 66320758) is 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine.
What is the SMILES notation for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine?
The canonical SMILES for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine is Cc1cc(Sc2ncncc2I)n(C)n1.
What is the InChIKey of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine?
The InChIKey is QMPRURSYDUMXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4S/c1-6-3-8(14(2)13-6)15-9-7(10)4-11-5-12-9/h3-5H,1-2H3.
What are the key properties of 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine?
4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine has a molecular weight of 332.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-iodopyrimidine is sourced from PubChem (CID 66320758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).