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

C8H12N2OS — CID 106476341

IUPAC2-(3-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCOCCCc1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-11-6-2-3-7-9-5-4-8(12)10-7/h4-5H,2-3,6H2,1H3,(H,9,10,12)
InChIKeyQGIMXPIZUZQVEY-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.72
Rot. Bonds4

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

2-(3-methoxypropyl)-1H-pyrimidine-6-thione (PubChem CID 106476341) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-1H-pyrimidine-6-thione
PubChem CID106476341
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(3-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCOCCCc1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-11-6-2-3-7-9-5-4-8(12)10-7/h4-5H,2-3,6H2,1H3,(H,9,10,12)
InChIKeyQGIMXPIZUZQVEY-UHFFFAOYSA-N
XLogP1.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.72
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-methoxyethoxy)ethyl]-1H-pyrimidine-6-thione
CID 106476375
2-(1-ethoxypropyl)-1H-pyrimidine-6-thione
CID 106476411
2-(1-methoxybutyl)-1H-pyrimidine-6-thione
CID 106476414
2-(2-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476452
2-(oxan-4-yl)-1H-pyrimidine-6-thione
CID 106476473
2-(1-methoxypropyl)-1H-pyrimidine-6-thione
CID 106476491
5-bromo-2-(3-methoxypropyl)-1H-pyrimidine-6-thione
CID 106480803
2-(2-ethoxyethyl)-1H-pyrimidine-6-thione
CID 106815946
2-(2-methoxyethyl)-1H-pyrimidine-6-thione
CID 121602527
2-(oxolan-3-yl)-1H-pyrimidine-6-thione
CID 121602584
2-(1-Methoxy-2-methylpropan-2-yl)pyrimidine-4(3H)-thione
CID 127007790

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(3-methoxypropyl)-1H-pyrimidine-6-thione (CID 106476341) is 2-(3-methoxypropyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(3-methoxypropyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(3-methoxypropyl)-1H-pyrimidine-6-thione is COCCCc1nccc(=S)[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-1H-pyrimidine-6-thione?
The InChIKey is QGIMXPIZUZQVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-11-6-2-3-7-9-5-4-8(12)10-7/h4-5H,2-3,6H2,1H3,(H,9,10,12).
What are the key properties of 2-(3-methoxypropyl)-1H-pyrimidine-6-thione?
2-(3-methoxypropyl)-1H-pyrimidine-6-thione has a molecular weight of 184.26 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).