6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one

C22H22N4O4S — CID 167560288

IUPAC6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCCOSOc1cc(-c2ccc(OCC)cc2)cnc1-n1ccc2nc(C)cn2c1=O
InChIInChI=1S/C22H22N4O4S/c1-4-28-18-8-6-16(7-9-18)17-12-19(30-31-29-5-2)21(23-13-17)25-11-10-20-24-15(3)14-26(20)22(25)27/h6-14H,4-5H2,1-3H3
InChIKeyDOKANSDUMUIBDV-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.23
Rot. Bonds8

About 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one

6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 167560288) has the molecular formula C22H22N4O4S and a molecular weight of 438.51 g/mol. Its IUPAC name is 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID167560288
Molecular FormulaC22H22N4O4S
Molecular Weight438.51 g/mol
Exact Mass438.14
IUPAC Name6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCCOSOc1cc(-c2ccc(OCC)cc2)cnc1-n1ccc2nc(C)cn2c1=O
InChIInChI=1S/C22H22N4O4S/c1-4-28-18-8-6-16(7-9-18)17-12-19(30-31-29-5-2)21(23-13-17)25-11-10-20-24-15(3)14-26(20)22(25)27/h6-14H,4-5H2,1-3H3
InChIKeyDOKANSDUMUIBDV-UHFFFAOYSA-N
XLogP4.23
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-2-(4-ethoxyphenyl)-5-methylimidazo[1,2-a]pyridine
CID 115403609
6-bromo-2-(4-ethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 79736812
1-(4-ethoxy-2-methylphenyl)-5-(4-methoxyphenyl)pyridin-2-one
CID 58016642
2-(4-ethoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270058
1-(4-ethoxyphenyl)-4-(4-methylphenyl)pyrazole
CID 107958448
6-bromo-7-ethoxy-2-methylimidazo[1,2-a]pyridine
CID 168895176
2-[1-[3-(2,4-diethoxyphenyl)-2-pyridinyl]ethyl]isoindole-1,3-dione
CID 142665166
2-[5-[4-(difluoromethoxy)phenyl]-3-ethylsulfonyl-2-pyridinyl]-6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685594
2-chloro-5-(4-ethoxyphenyl)pyridine
CID 19765548
N-cyclopropyl-1-(4-ethoxyphenyl)-4-methylimidazol-2-amine
CID 106555778
5-ethoxy-2-methylpyridine
CID 573198
2-(4-ethoxyphenyl)-1,6-dimethylimidazo[4,5-b]pyridine
CID 23847773

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one (CID 167560288) is 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one is CCOSOc1cc(-c2ccc(OCC)cc2)cnc1-n1ccc2nc(C)cn2c1=O.
What is the InChIKey of 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is DOKANSDUMUIBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O4S/c1-4-28-18-8-6-16(7-9-18)17-12-19(30-31-29-5-2)21(23-13-17)25-11-10-20-24-15(3)14-26(20)22(25)27/h6-14H,4-5H2,1-3H3.
What are the key properties of 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one?
6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 438.51 g/mol, XLogP of 4.23, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 167560288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).