2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

C14H22N2OS — CID 106476996

IUPAC2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC1
InChIInChI=1S/C14H22N2OS/c1-4-11-10(3)15-13(16-12(11)18)14(17-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,18)
InChIKeyFLKYVKGUFCVRNV-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.82
Rot. Bonds4

About 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione

2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (PubChem CID 106476996) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
PubChem CID106476996
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione
SMILESCCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC1
InChIInChI=1S/C14H22N2OS/c1-4-11-10(3)15-13(16-12(11)18)14(17-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,18)
InChIKeyFLKYVKGUFCVRNV-UHFFFAOYSA-N
XLogP3.82
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.82
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-(1-ethoxycyclopentyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475218
2-(1-ethoxycyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475220
2-(2-methyloxolan-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475256
2-(1-ethoxycyclohexyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475474
2-(2-methyloxolan-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475510
2-(1-methoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475574
2-(1-ethoxycyclopentyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475723
6-tert-butyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106475824
6-tert-butyl-2-(1-ethoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106475977
6-ethyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106476075
6-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidine-4-thione
CID 106476097
2-(1-ethoxycyclopentyl)-6-ethyl-1H-pyrimidine-4-thione
CID 106476221

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione (CID 106476996) is 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is CCOC1(c2nc(=S)c(CC)c(C)[nH]2)CCCC1.
What is the InChIKey of 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is FLKYVKGUFCVRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-4-11-10(3)15-13(16-12(11)18)14(17-5-2)8-6-7-9-14/h4-9H2,1-3H3,(H,15,16,18).
What are the key properties of 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione?
2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 266.41 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclopentyl)-5-ethyl-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).