6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione

C10H16N2S2 — CID 106475751

IUPAC6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CSCC(C)C)[nH]1
InChIInChI=1S/C10H16N2S2/c1-7(2)5-14-6-9-11-8(3)4-10(13)12-9/h4,7H,5-6H2,1-3H3,(H,11,12,13)
InChIKeyQVUMOXQRDWBUCX-UHFFFAOYSA-N
MW228.39 g/mol
LogP3.34
Rot. Bonds4

About 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione

6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione (PubChem CID 106475751) has the molecular formula C10H16N2S2 and a molecular weight of 228.39 g/mol. Its IUPAC name is 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
PubChem CID106475751
Molecular FormulaC10H16N2S2
Molecular Weight228.39 g/mol
Exact Mass228.08
IUPAC Name6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(CSCC(C)C)[nH]1
InChIInChI=1S/C10H16N2S2/c1-7(2)5-14-6-9-11-8(3)4-10(13)12-9/h4,7H,5-6H2,1-3H3,(H,11,12,13)
InChIKeyQVUMOXQRDWBUCX-UHFFFAOYSA-N
XLogP3.34
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione
CID 106476774
2-(cyclohexylsulfanylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475675
5-bromo-2-(2-methylpropylsulfanylmethyl)-6-phenyl-1H-pyrimidine-4-thione
CID 106478948
2-[(3-chlorophenyl)sulfanylmethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475713
2-(cyclopropylmethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475596
2-(ethylsulfanylmethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475286
6-methyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106475612
6-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidine-4-thione
CID 106475667
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
2-(cyclopentylsulfanylmethyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481280
6-tert-butyl-2-propyl-1H-pyrimidine-4-thione
CID 106475830
2-[(4-chlorophenyl)sulfanylmethyl]-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481391

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione (CID 106475751) is 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(CSCC(C)C)[nH]1.
What is the InChIKey of 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione?
The InChIKey is QVUMOXQRDWBUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S2/c1-7(2)5-14-6-9-11-8(3)4-10(13)12-9/h4,7H,5-6H2,1-3H3,(H,11,12,13).
What are the key properties of 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione?
6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione has a molecular weight of 228.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-methylpropylsulfanylmethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).