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

C11H16N2OS — CID 106475690

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C)[nH]1)C1CC1
InChIInChI=1S/C11H16N2OS/c1-3-14-10(8-4-5-8)11-12-7(2)6-9(15)13-11/h6,8,10H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUUUUFEHYTDQYIW-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.94
Rot. Bonds4

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

2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106475690) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
PubChem CID106475690
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(C)[nH]1)C1CC1
InChIInChI=1S/C11H16N2OS/c1-3-14-10(8-4-5-8)11-12-7(2)6-9(15)13-11/h6,8,10H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyUUUUFEHYTDQYIW-UHFFFAOYSA-N
XLogP2.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.94
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-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217
2-(1-ethoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475219
2-(1-ethoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475260
2-[cyclopropyl(methoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475360
2-(1-ethoxyethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475387
2-(1-ethoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475398
2-(1-methoxybutyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475401
2-(1-ethoxy-2,2-dimethylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475403
2-[cyclopropyl(ethoxy)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475435
2-(1-methoxypropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475470

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione (CID 106475690) is 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is CCOC(c1nc(=S)cc(C)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is UUUUFEHYTDQYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-14-10(8-4-5-8)11-12-7(2)6-9(15)13-11/h6,8,10H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione?
2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 224.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).