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

C9H14N2OS — CID 94077027

IUPAC6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-6(2)9-10-7(5-12-3)4-8(13)11-9/h4,6H,5H2,1-3H3,(H,10,11,13)
InChIKeyHWLHFQGHYHEUEP-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.41
Rot. Bonds3

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

6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 94077027) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID94077027
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-6(2)9-10-7(5-12-3)4-8(13)11-9/h4,6H,5H2,1-3H3,(H,10,11,13)
InChIKeyHWLHFQGHYHEUEP-UHFFFAOYSA-N
XLogP2.41
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.41
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-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106477610
2-[2-(2,2-difluoroethoxy)ethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477630
6-(methoxymethyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106477636
6-(methoxymethyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113839259
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
CID 94077038
2-Ethyl-6-methoxymethyl-pyrimidine-4-thiol
CID 94077049
2-(methoxymethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475524
2-(1-ethoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475643
2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475714
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475722
2-cyclopentyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477585

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione (CID 94077027) is 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C(C)C)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is HWLHFQGHYHEUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-6(2)9-10-7(5-12-3)4-8(13)11-9/h4,6H,5H2,1-3H3,(H,10,11,13).
What are the key properties of 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).