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

C7H10N2OS — CID 94077038

IUPAC6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5-8-6(4-10-2)3-7(11)9-5/h3H,4H2,1-2H3,(H,8,9,11)
InChIKeyKRMKTLHWWDEKRE-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.59
Rot. Bonds2

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

6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 94077038) has the molecular formula C7H10N2OS and a molecular weight of 170.24 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
PubChem CID94077038
Molecular FormulaC7H10N2OS
Molecular Weight170.24 g/mol
Exact Mass170.05
IUPAC Name6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C7H10N2OS/c1-5-8-6(4-10-2)3-7(11)9-5/h3H,4H2,1-2H3,(H,8,9,11)
InChIKeyKRMKTLHWWDEKRE-UHFFFAOYSA-N
XLogP1.59
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione (CID 94077038) is 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is KRMKTLHWWDEKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2OS/c1-5-8-6(4-10-2)3-7(11)9-5/h3H,4H2,1-2H3,(H,8,9,11).
What are the key properties of 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 170.24 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 94077038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).