2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

C12H18N2O2S — CID 106477390

IUPAC2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C12H18N2O2S/c1-15-7-8-16-6-5-11-13-10-4-2-3-9(10)12(17)14-11/h2-8H2,1H3,(H,13,14,17)
InChIKeyLDUMBBJWOYMDEM-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.83
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione

2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (PubChem CID 106477390) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
PubChem CID106477390
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
SMILESCOCCOCCc1nc(=S)c2c([nH]1)CCC2
InChIInChI=1S/C12H18N2O2S/c1-15-7-8-16-6-5-11-13-10-4-2-3-9(10)12(17)14-11/h2-8H2,1H3,(H,13,14,17)
InChIKeyLDUMBBJWOYMDEM-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477373
2-[2-(2,2-Difluoroethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477374
5-ethyl-2-[2-(2-methoxyethoxy)ethyl]-6-methyl-1H-pyrimidine-4-thione
CID 106476887
5-ethyl-6-methyl-2-(oxolan-2-ylmethyl)-1H-pyrimidine-4-thione
CID 106476892
5-ethyl-2-(2-methoxyethyl)-6-methyl-1H-pyrimidine-4-thione
CID 106477020
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477142
2-(2-methoxypropyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477208
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-1H-quinazoline-4-thione
CID 106477270
2-(Propoxymethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477356
2-(3-Methoxypropyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477360
2-(Oxolan-2-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477395
2-(1-Ethoxyethyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione
CID 106477415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione (CID 106477390) is 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is COCCOCCc1nc(=S)c2c([nH]1)CCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
The InChIKey is LDUMBBJWOYMDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c1-15-7-8-16-6-5-11-13-10-4-2-3-9(10)12(17)14-11/h2-8H2,1H3,(H,13,14,17).
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione?
2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione has a molecular weight of 254.35 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidine-4-thione is sourced from PubChem (CID 106477390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).