2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione

C11H16N2OS — CID 106475574

IUPAC2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCCC1
InChIInChI=1S/C11H16N2OS/c1-8-7-9(15)13-10(12-8)11(14-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWHHCRYVACYVEDT-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.86
Rot. Bonds2

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

2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475574) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475574
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)cc(C)[nH]2)CCCC1
InChIInChI=1S/C11H16N2OS/c1-8-7-9(15)13-10(12-8)11(14-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyWHHCRYVACYVEDT-UHFFFAOYSA-N
XLogP2.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.86
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-(1-methoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475088
2-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
2-(1-methoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475343
2-(1-methoxycycloheptyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475576
6-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106475594
2-(1-methoxycyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475601
2-(3-methoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475604
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475684
2-(2-methoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475689
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475726

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione (CID 106475574) is 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)cc(C)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is WHHCRYVACYVEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-8-7-9(15)13-10(12-8)11(14-2)5-3-4-6-11/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione?
2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).