2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione

C11H18N2OS — CID 106475078

IUPAC2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCCOC)[nH]1
InChIInChI=1S/C11H18N2OS/c1-3-5-9-8-11(15)13-10(12-9)6-4-7-14-2/h8H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyWJVZKJDMWWCLOY-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.67
Rot. Bonds6

About 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione

2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475078) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475078
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(CCCOC)[nH]1
InChIInChI=1S/C11H18N2OS/c1-3-5-9-8-11(15)13-10(12-9)6-4-7-14-2/h8H,3-7H2,1-2H3,(H,12,13,15)
InChIKeyWJVZKJDMWWCLOY-UHFFFAOYSA-N
XLogP2.67
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2,2-difluoroethoxy)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475092
6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113838904
2-ethyl-6-propyl-1H-pyrimidine-4-thione
CID 94077047
2,6-dipropyl-1H-pyrimidine-4-thione
CID 106475068
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(2-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475178
2-(oxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475198
2-(ethoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475203
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione (CID 106475078) is 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(CCCOC)[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is WJVZKJDMWWCLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-3-5-9-8-11(15)13-10(12-9)6-4-7-14-2/h8H,3-7H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione?
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 226.34 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).