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

C8H13N3OS — CID 106477608

IUPAC2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H13N3OS/c1-11(2)8-9-6(5-12-3)4-7(13)10-8/h4H,5H2,1-3H3,(H,9,10,13)
InChIKeyAHGQNKNVMWHMKZ-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.35
Rot. Bonds3

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

2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477608) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477608
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC Name2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N(C)C)[nH]1
InChIInChI=1S/C8H13N3OS/c1-11(2)8-9-6(5-12-3)4-7(13)10-8/h4H,5H2,1-3H3,(H,9,10,13)
InChIKeyAHGQNKNVMWHMKZ-UHFFFAOYSA-N
XLogP1.35
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477608) is 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(N(C)C)[nH]1.
What is the InChIKey of 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is AHGQNKNVMWHMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-11(2)8-9-6(5-12-3)4-7(13)10-8/h4H,5H2,1-3H3,(H,9,10,13).
What are the key properties of 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 199.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).