2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione

C10H16N2OS — CID 106475722

IUPAC2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C(C)C
InChIInChI=1S/C10H16N2OS/c1-6(2)9(13-4)10-11-7(3)5-8(14)12-10/h5-6,9H,1-4H3,(H,11,12,14)
InChIKeyFFAMOVUNPQCUBG-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.79
Rot. Bonds3

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

2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475722) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475722
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C)[nH]1)C(C)C
InChIInChI=1S/C10H16N2OS/c1-6(2)9(13-4)10-11-7(3)5-8(14)12-10/h5-6,9H,1-4H3,(H,11,12,14)
InChIKeyFFAMOVUNPQCUBG-UHFFFAOYSA-N
XLogP2.79
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.79
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

6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 94077027
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(2-methoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475181
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
6-propan-2-yl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106475330

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475722) is 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione is COC(c1nc(=S)cc(C)[nH]1)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is FFAMOVUNPQCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)9(13-4)10-11-7(3)5-8(14)12-10/h5-6,9H,1-4H3,(H,11,12,14).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).