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

C16H18N4O4S — CID 161271896

IUPAC6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCCOSOc1cc(OCC)cnc1-n1ccc2nc(C)cn2c1=O
InChIInChI=1S/C16H18N4O4S/c1-4-22-12-8-13(24-25-23-5-2)15(17-9-12)19-7-6-14-18-11(3)10-20(14)16(19)21/h6-10H,4-5H2,1-3H3
InChIKeyVDXWKLCTALJRPU-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.57
Rot. Bonds7

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

6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one (PubChem CID 161271896) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one.

Molecular Properties

Compound Name6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one
PubChem CID161271896
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one
SMILESCCOSOc1cc(OCC)cnc1-n1ccc2nc(C)cn2c1=O
InChIInChI=1S/C16H18N4O4S/c1-4-22-12-8-13(24-25-23-5-2)15(17-9-12)19-7-6-14-18-11(3)10-20(14)16(19)21/h6-10H,4-5H2,1-3H3
InChIKeyVDXWKLCTALJRPU-UHFFFAOYSA-N
XLogP2.57
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.57
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-[5-(4-ethoxyphenyl)-3-ethoxysulfanyloxy-2-pyridinyl]-2-methylimidazo[1,2-c]pyrimidin-5-one
CID 167560288
2-(6-bromo-3-ethoxysulfanyloxyimidazo[1,2-a]pyridin-2-yl)-6-methylisoquinolin-1-one
CID 164960572
2-(5-bromo-3-ethoxysulfanyloxy-2-pyridinyl)-7-methylimidazo[1,2-a]pyridine
CID 158060267
2-[3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-1,5-dimethylpyrazolo[3,4-b]pyridin-3-one
CID 163790798
6-bromo-7-ethoxy-2-methylimidazo[1,2-a]pyridine
CID 168895176
5-ethoxy-2-methylpyridine
CID 573198
6-bromo-3-ethoxysulfanyloxy-2-fluoroimidazo[1,2-a]pyridine
CID 164816748
3-(3-ethoxysulfanyloxy-2-pyridinyl)-6-methylpyridazine
CID 158368423
7-ethoxy-2-methylimidazo[1,2-a]pyridin-6-amine
CID 177041114
3,8-diethoxyquinoline
CID 45094466
2-(5-chloropyrazin-2-yl)-3-ethoxysulfanyloxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 153412150
7-(2,4-diethoxyphenyl)-8-methoxy-5H-pyrimido[1,2-a][1,4]benzodiazepin-3-one
CID 15079748

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one?
The IUPAC name of 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one (CID 161271896) is 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one.
What is the SMILES notation for 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one?
The canonical SMILES for 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one is CCOSOc1cc(OCC)cnc1-n1ccc2nc(C)cn2c1=O.
What is the InChIKey of 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one?
The InChIKey is VDXWKLCTALJRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-4-22-12-8-13(24-25-23-5-2)15(17-9-12)19-7-6-14-18-11(3)10-20(14)16(19)21/h6-10H,4-5H2,1-3H3.
What are the key properties of 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one?
6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one has a molecular weight of 362.41 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethoxy-3-ethoxysulfanyloxy-2-pyridinyl)-2-methylimidazo[1,2-c]pyrimidin-5-one is sourced from PubChem (CID 161271896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).