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

C12H18N2OS — CID 106476190

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(CC)[nH]1)C1CC1
InChIInChI=1S/C12H18N2OS/c1-3-9-7-10(16)14-12(13-9)11(15-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMPHHUGZOLHNHRF-UHFFFAOYSA-N
MW238.36 g/mol
LogP3.19
Rot. Bonds5

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

2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione (PubChem CID 106476190) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
PubChem CID106476190
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione
SMILESCCOC(c1nc(=S)cc(CC)[nH]1)C1CC1
InChIInChI=1S/C12H18N2OS/c1-3-9-7-10(16)14-12(13-9)11(15-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyMPHHUGZOLHNHRF-UHFFFAOYSA-N
XLogP3.19
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 53.19
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-propyl-1H-pyrimidine-4-thione
CID 106475090
2-[cyclopropyl(methoxy)methyl]-6-propyl-1H-pyrimidine-4-thione
CID 106475104
2-(1-ethoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475129
2-(1-ethoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475140
2-(1-methoxybutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475143
2-(1-ethoxy-2,2-dimethylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475145
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(1-methoxycyclobutyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475175
2-(2-ethoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475180
2-(1-methoxyethyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475208
2-(1-methoxypropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475216
2-(1-methoxy-2-methylpropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475217

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione (CID 106476190) is 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione is CCOC(c1nc(=S)cc(CC)[nH]1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
The InChIKey is MPHHUGZOLHNHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-9-7-10(16)14-12(13-9)11(15-4-2)8-5-6-8/h7-8,11H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione?
2-[cyclopropyl(ethoxy)methyl]-6-ethyl-1H-pyrimidine-4-thione has a molecular weight of 238.36 g/mol, XLogP of 3.19, 5 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-ethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).