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

C10H16N2OS — CID 106476090

IUPAC6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCCOC)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-8-7-10(14)12-9(11-8)5-4-6-13-2/h7H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyIYHKQPVAATVRGX-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.28
Rot. Bonds5

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

6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione (PubChem CID 106476090) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
PubChem CID106476090
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(CCCOC)[nH]1
InChIInChI=1S/C10H16N2OS/c1-3-8-7-10(14)12-9(11-8)5-4-6-13-2/h7H,3-6H2,1-2H3,(H,11,12,14)
InChIKeyIYHKQPVAATVRGX-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
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-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106476107
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476108
6-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 113838904
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
2,6-dipropyl-1H-pyrimidine-4-thione
CID 106475068
2-(propoxymethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475074
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
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

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione (CID 106476090) is 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(CCCOC)[nH]1.
What is the InChIKey of 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
The InChIKey is IYHKQPVAATVRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-3-8-7-10(14)12-9(11-8)5-4-6-13-2/h7H,3-6H2,1-2H3,(H,11,12,14).
What are the key properties of 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione?
6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).