2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione

C12H18N2OS — CID 106475256

IUPAC2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(C)CCCO2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-3-5-9-8-10(16)14-11(13-9)12(2)6-4-7-15-12/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyCKKGNWHUVGVOOR-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione

2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475256) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475256
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(C2(C)CCCO2)[nH]1
InChIInChI=1S/C12H18N2OS/c1-3-5-9-8-10(16)14-11(13-9)12(2)6-4-7-15-12/h8H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyCKKGNWHUVGVOOR-UHFFFAOYSA-N
XLogP3.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.12
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-(2-methyloxan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475084
2-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(2-ethoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475090
2-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-(4-methoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475102
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(1-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(2-ethoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475180
2-(2-methoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475181
2-(4-ethoxyoxan-4-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475215
2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione (CID 106475256) is 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(C2(C)CCCO2)[nH]1.
What is the InChIKey of 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is CKKGNWHUVGVOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-5-9-8-10(16)14-11(13-9)12(2)6-4-7-15-12/h8H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione?
2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).