2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione

C6H7IN2S — CID 167250511

IUPAC2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(I)nc(=S)c1C
InChIInChI=1S/C6H7IN2S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10)
InChIKeyIHEDMMMXHXLLGM-UHFFFAOYSA-N
MW266.11 g/mol
LogP2.36
Rot. Bonds

About 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione

2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 167250511) has the molecular formula C6H7IN2S and a molecular weight of 266.11 g/mol. Its IUPAC name is 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID167250511
Molecular FormulaC6H7IN2S
Molecular Weight266.11 g/mol
Exact Mass265.94
IUPAC Name2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(I)nc(=S)c1C
InChIInChI=1S/C6H7IN2S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10)
InChIKeyIHEDMMMXHXLLGM-UHFFFAOYSA-N
XLogP2.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.11
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Pyrimidinethiol, 2-amino-4-methyl-5-iodo-
CID 3034978
2-amino-5,6-dimethyl-1H-pyrimidine-4-thione
CID 45071863
2-iodo-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carbonitrile
CID 138700328

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione (CID 167250511) is 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione is Cc1[nH]c(I)nc(=S)c1C.
What is the InChIKey of 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is IHEDMMMXHXLLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7IN2S/c1-3-4(2)8-6(7)9-5(3)10/h1-2H3,(H,8,9,10).
What are the key properties of 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione?
2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 266.11 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 167250511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).