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

C12H20N2OS — CID 106475471

IUPAC2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C(C)C)[nH]1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-7(2)9-6-10(16)14-12(13-9)11(15-5)8(3)4/h6-8,11H,1-5H3,(H,13,14,16)
InChIKeyFOBTWJDKDAWKSQ-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.61
Rot. Bonds4

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

2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475471) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475471
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOC(c1nc(=S)cc(C(C)C)[nH]1)C(C)C
InChIInChI=1S/C12H20N2OS/c1-7(2)9-6-10(16)14-12(13-9)11(15-5)8(3)4/h6-8,11H,1-5H3,(H,13,14,16)
InChIKeyFOBTWJDKDAWKSQ-UHFFFAOYSA-N
XLogP3.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106475437
6-(2-methylpropyl)-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-4-thione
CID 106481368
6-(2-methylpropyl)-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-4-thione
CID 106481408
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
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-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475471) is 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione is COC(c1nc(=S)cc(C(C)C)[nH]1)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is FOBTWJDKDAWKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-7(2)9-6-10(16)14-12(13-9)11(15-5)8(3)4/h6-8,11H,1-5H3,(H,13,14,16).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione?
2-(1-methoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 240.37 g/mol, XLogP of 3.61, 4 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-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).