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

C10H16N2OS — CID 106477784

IUPAC2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-9-11-8(7-13-2)6-10(14)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,14)
InChIKeySWDHACXYXQSGBY-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.63
Rot. Bonds5

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

2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477784) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477784
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCCCc1nc(=S)cc(COC)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-4-5-9-11-8(7-13-2)6-10(14)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,14)
InChIKeySWDHACXYXQSGBY-UHFFFAOYSA-N
XLogP2.63
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.63
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 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477784) is 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCCCc1nc(=S)cc(COC)[nH]1.
What is the InChIKey of 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is SWDHACXYXQSGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-4-5-9-11-8(7-13-2)6-10(14)12-9/h6H,3-5,7H2,1-2H3,(H,11,12,14).
What are the key properties of 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).