5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione

C10H12N4S — CID 106476625

IUPAC5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cncn2C)nc(=S)c1C
InChIInChI=1S/C10H12N4S/c1-6-7(2)12-9(13-10(6)15)8-4-11-5-14(8)3/h4-5H,1-3H3,(H,12,13,15)
InChIKeyMTDNHOIVDNDFHG-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.16
Rot. Bonds1

About 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione (PubChem CID 106476625) has the molecular formula C10H12N4S and a molecular weight of 220.30 g/mol. Its IUPAC name is 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
PubChem CID106476625
Molecular FormulaC10H12N4S
Molecular Weight220.30 g/mol
Exact Mass220.08
IUPAC Name5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(-c2cncn2C)nc(=S)c1C
InChIInChI=1S/C10H12N4S/c1-6-7(2)12-9(13-10(6)15)8-4-11-5-14(8)3/h4-5H,1-3H3,(H,12,13,15)
InChIKeyMTDNHOIVDNDFHG-UHFFFAOYSA-N
XLogP2.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione (CID 106476625) is 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(-c2cncn2C)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione?
The InChIKey is MTDNHOIVDNDFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S/c1-6-7(2)12-9(13-10(6)15)8-4-11-5-14(8)3/h4-5H,1-3H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione has a molecular weight of 220.30 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(3-methylimidazol-4-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).