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

C10H16N2OS — CID 106476735

IUPAC2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-6-7(2)11-9(12-8(6)14)10(3,4)13-5/h1-5H3,(H,11,12,14)
InChIKeyVHVOQJLUNJVEEJ-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.64
Rot. Bonds2

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

2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476735) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476735
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCOC(C)(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C10H16N2OS/c1-6-7(2)11-9(12-8(6)14)10(3,4)13-5/h1-5H3,(H,11,12,14)
InChIKeyVHVOQJLUNJVEEJ-UHFFFAOYSA-N
XLogP2.64
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.64
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-ethoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475603
2-(3-methoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475604
2-(2-ethoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475688
2-(2-methoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475689
2-(2-methoxypropan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475712
6-ethyl-2-(2-methoxypropan-2-yl)-1H-pyrimidine-4-thione
CID 106476211
5,6-dimethyl-2-(propoxymethyl)-1H-pyrimidine-4-thione
CID 106476608
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-(1-ethoxyethyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476666
2-(1-ethoxypropyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476677
2-(1-methoxybutyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476680

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476735) is 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is COC(C)(C)c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is VHVOQJLUNJVEEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6-7(2)11-9(12-8(6)14)10(3,4)13-5/h1-5H3,(H,11,12,14).
What are the key properties of 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).