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

C11H18N2OS — CID 106476712

IUPAC2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(C)(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C11H18N2OS/c1-6-14-11(4,5)10-12-8(3)7(2)9(15)13-10/h6H2,1-5H3,(H,12,13,15)
InChIKeyHOIWVNNOWKZNGW-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.03
Rot. Bonds3

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

2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476712) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476712
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCOC(C)(C)c1nc(=S)c(C)c(C)[nH]1
InChIInChI=1S/C11H18N2OS/c1-6-14-11(4,5)10-12-8(3)7(2)9(15)13-10/h6H2,1-5H3,(H,12,13,15)
InChIKeyHOIWVNNOWKZNGW-UHFFFAOYSA-N
XLogP3.03
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.03
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-ethoxypropan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475433
2-(2-ethoxybutan-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475603
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
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
2-(2-ethoxypropan-2-yl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476188
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

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476712) is 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is CCOC(C)(C)c1nc(=S)c(C)c(C)[nH]1.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is HOIWVNNOWKZNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-6-14-11(4,5)10-12-8(3)7(2)9(15)13-10/h6H2,1-5H3,(H,12,13,15).
What are the key properties of 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 226.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).