2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione

C12H18N2O2S — CID 106477716

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(COC)[nH]1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11(8-4-5-8)12-13-9(7-15-2)6-10(17)14-12/h6,8,11H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyGIZUHJJJIBPBQN-UHFFFAOYSA-N
MW254.35 g/mol
LogP2.77
Rot. Bonds6

About 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione

2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione (PubChem CID 106477716) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
PubChem CID106477716
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(COC)[nH]1)C1CC1
InChIInChI=1S/C12H18N2O2S/c1-3-16-11(8-4-5-8)12-13-9(7-15-2)6-10(17)14-12/h6,8,11H,3-5,7H2,1-2H3,(H,13,14,17)
InChIKeyGIZUHJJJIBPBQN-UHFFFAOYSA-N
XLogP2.77
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-[cyclopropyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475360
2-[cyclopropyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475435
2-(1-ethoxybutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475472
2-[cyclopropyl(methoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475619
2-(1-methoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475657
2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
CID 106475690
2-(1-methoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475722
2-(1-ethoxybutyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475724
2-(1-ethoxy-2-methylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475762
6-tert-butyl-2-[cyclopropyl(methoxy)methyl]-1H-pyrimidine-4-thione
CID 106475866
6-tert-butyl-2-[cyclopropyl(ethoxy)methyl]-1H-pyrimidine-4-thione
CID 106475941

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione (CID 106477716) is 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione is CCOC(c1nc(=S)cc(COC)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
The InChIKey is GIZUHJJJIBPBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-3-16-11(8-4-5-8)12-13-9(7-15-2)6-10(17)14-12/h6,8,11H,3-5,7H2,1-2H3,(H,13,14,17).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione?
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione has a molecular weight of 254.35 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).