2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C14H24N2OS — CID 106476956

IUPAC2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(CC)(CC)c1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C14H24N2OS/c1-6-11-10(5)15-13(16-12(11)18)14(7-2,8-3)17-9-4/h6-9H2,1-5H3,(H,15,16,18)
InChIKeyRMEMSXJEMCLFBA-UHFFFAOYSA-N
MW268.43 g/mol
LogP4.06
Rot. Bonds6

About 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476956) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476956
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC Name2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC(CC)(CC)c1nc(=S)c(CC)c(C)[nH]1
InChIInChI=1S/C14H24N2OS/c1-6-11-10(5)15-13(16-12(11)18)14(7-2,8-3)17-9-4/h6-9H2,1-5H3,(H,15,16,18)
InChIKeyRMEMSXJEMCLFBA-UHFFFAOYSA-N
XLogP4.06
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 54.06
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-(3-methoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475091
2-(3-ethoxypentan-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475174
2-(2-ethoxypropan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475180
2-(2-methoxybutan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475181
2-(3-methoxypentan-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475345
2-(3-ethoxypentan-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475428
2-(2-ethoxypropan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475433
2-(2-methoxybutan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475434
2-(1-ethoxy-2-methylpropyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475514
2-(3-ethoxypentan-3-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475683
6-tert-butyl-2-(2-ethoxybutan-2-yl)-1H-pyrimidine-4-thione
CID 106475851

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476956) is 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCOC(CC)(CC)c1nc(=S)c(CC)c(C)[nH]1.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is RMEMSXJEMCLFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-6-11-10(5)15-13(16-12(11)18)14(7-2,8-3)17-9-4/h6-9H2,1-5H3,(H,15,16,18).
What are the key properties of 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 268.43 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).