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

C8H12N2OS — CID 106476491

IUPAC2-(1-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCCC(OC)c1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-6(11-2)8-9-5-4-7(12)10-8/h4-6H,3H2,1-2H3,(H,9,10,12)
InChIKeyBCKADFYXTOAKFH-UHFFFAOYSA-N
MW184.26 g/mol
LogP2.24
Rot. Bonds3

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

2-(1-methoxypropyl)-1H-pyrimidine-6-thione (PubChem CID 106476491) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(1-methoxypropyl)-1H-pyrimidine-6-thione
PubChem CID106476491
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name2-(1-methoxypropyl)-1H-pyrimidine-6-thione
SMILESCCC(OC)c1nccc(=S)[nH]1
InChIInChI=1S/C8H12N2OS/c1-3-6(11-2)8-9-5-4-7(12)10-8/h4-6H,3H2,1-2H3,(H,9,10,12)
InChIKeyBCKADFYXTOAKFH-UHFFFAOYSA-N
XLogP2.24
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-butan-2-yl-1H-pyrimidine-6-thione
CID 106476513
methyl 2-(1-methoxypropyl)-1H-imidazole-5-carboxylate
CID 116730510
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721
6-tert-butyl-2-(1-methoxypropyl)-1H-pyrimidine-4-thione
CID 106475976
2-(2-methoxybutan-2-yl)-1H-pyrimidine-6-thione
CID 106476455
2-(1-methoxypropyl)pyridin-4-amine
CID 164926750
3-(1-methoxypropyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 136965373
2-(2-methoxy-4-methylphenyl)-1H-pyrimidine-6-thione
CID 106794204
2-(propan-2-ylsulfanylmethyl)-1H-pyrimidine-6-thione
CID 106476434
1-[2-(1-methoxypropyl)pyrimidin-4-yl]-N-methylmethanamine
CID 116731053
2-(dimethylamino)-1H-pyrimidine-6-thione
CID 64829651
2-(3-methylphenyl)-1H-pyrimidine-6-thione
CID 106476500

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(1-methoxypropyl)-1H-pyrimidine-6-thione (CID 106476491) is 2-(1-methoxypropyl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(1-methoxypropyl)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(1-methoxypropyl)-1H-pyrimidine-6-thione is CCC(OC)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(1-methoxypropyl)-1H-pyrimidine-6-thione?
The InChIKey is BCKADFYXTOAKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-6(11-2)8-9-5-4-7(12)10-8/h4-6H,3H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(1-methoxypropyl)-1H-pyrimidine-6-thione?
2-(1-methoxypropyl)-1H-pyrimidine-6-thione has a molecular weight of 184.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).