2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C10H16N2OS — CID 106476614

IUPAC2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7-8(2)11-9(12-10(7)14)5-4-6-13-3/h4-6H2,1-3H3,(H,11,12,14)
InChIKeySNGCUCAOHWISBK-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.34
Rot. Bonds4

About 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476614) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476614
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-7-8(2)11-9(12-10(7)14)5-4-6-13-3/h4-6H2,1-3H3,(H,11,12,14)
InChIKeySNGCUCAOHWISBK-UHFFFAOYSA-N
XLogP2.34
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.34
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-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475589
6-tert-butyl-2-(3-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475839
2-[2-(2-methoxyethoxy)ethyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476645
2-(1-ethoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476677
2-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680
2-(2-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476710
5,6-dimethyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106476727
2-(1-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476744
5,6-dimethyl-2-(oxolan-3-yl)-1H-pyrimidine-4-thione
CID 106476762
2-(2-methoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476768
5-ethyl-2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476852
5-ethyl-2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106476958

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476614) is 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COCCCc1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is SNGCUCAOHWISBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-7-8(2)11-9(12-10(7)14)5-4-6-13-3/h4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).