2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione

C11H16N2OS — CID 106476708

IUPAC2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(C)c(C)[nH]2)CCC1
InChIInChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(14-3)5-4-6-11/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyGVXIWHZZCVIQNJ-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.78
Rot. Bonds2

About 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione

2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476708) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476708
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC1(c2nc(=S)c(C)c(C)[nH]2)CCC1
InChIInChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(14-3)5-4-6-11/h4-6H2,1-3H3,(H,12,13,15)
InChIKeyGVXIWHZZCVIQNJ-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
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-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(1-methoxycyclobutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475429
2-(3-methoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475604
2-(1-methoxycyclobutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475684
2-(2-methoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475689
6-ethyl-2-(1-methoxycyclobutyl)-1H-pyrimidine-4-thione
CID 106476183
2-(1-methoxycyclopentyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476598
2-(2-ethoxybutan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476628
2-(3-methoxypentan-3-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476629
2-[cyclopropyl(methoxy)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476642
2-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680
2-(3-ethoxypentan-3-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476707

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476708) is 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione is COC1(c2nc(=S)c(C)c(C)[nH]2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is GVXIWHZZCVIQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-7-8(2)12-10(13-9(7)15)11(14-3)5-4-6-11/h4-6H2,1-3H3,(H,12,13,15).
What are the key properties of 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).