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

C10H17N3OS — CID 106477724

IUPAC2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H17N3OS/c1-4-13(5-2)10-11-8(7-14-3)6-9(15)12-10/h6H,4-5,7H2,1-3H3,(H,11,12,15)
InChIKeyKERSEQHGVGLZEE-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.13
Rot. Bonds5

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

2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477724) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477724
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCN(CC)c1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H17N3OS/c1-4-13(5-2)10-11-8(7-14-3)6-9(15)12-10/h6H,4-5,7H2,1-3H3,(H,11,12,15)
InChIKeyKERSEQHGVGLZEE-UHFFFAOYSA-N
XLogP2.13
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.13
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-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477724) is 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCN(CC)c1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is KERSEQHGVGLZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-4-13(5-2)10-11-8(7-14-3)6-9(15)12-10/h6H,4-5,7H2,1-3H3,(H,11,12,15).
What are the key properties of 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 227.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).