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

C9H14N2OS — CID 106475589

IUPAC2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-7-6-9(13)11-8(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXDIJYPNSRVSSGH-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.03
Rot. Bonds4

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

2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475589) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475589
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOCCCc1nc(=S)cc(C)[nH]1
InChIInChI=1S/C9H14N2OS/c1-7-6-9(13)11-8(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,10,11,13)
InChIKeyXDIJYPNSRVSSGH-UHFFFAOYSA-N
XLogP2.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.03
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

6-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475605
2-[2-(2,2-difluoroethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475606
6-methyl-2-propyl-1H-pyrimidine-4-thione
CID 17606395
2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 33777144
2-(3-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475078
2-(2-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475241
2-(3-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475333
2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475622
2-(2-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475687
6-methyl-2-(oxan-4-yl)-1H-pyrimidine-4-thione
CID 106475705
2-(1-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475714
2-(1-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475721

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475589) is 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione is COCCCc1nc(=S)cc(C)[nH]1.
What is the InChIKey of 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is XDIJYPNSRVSSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-9(13)11-8(10-7)4-3-5-12-2/h6H,3-5H2,1-2H3,(H,10,11,13).
What are the key properties of 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione?
2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 198.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).