2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal

C18H21N5O3S — CID 143953373

IUPAC2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal
SMILESCCc1cc2c(N3CCn4ccnc4C3)nc(OCC(C=O)CO)nc2s1
InChIInChI=1S/C18H21N5O3S/c1-2-13-7-14-16(23-6-5-22-4-3-19-15(22)8-23)20-18(21-17(14)27-13)26-11-12(9-24)10-25/h3-4,7,9,12,25H,2,5-6,8,10-11H2,1H3
InChIKeyHLWKGAOEGWYYJQ-UHFFFAOYSA-N
MW387.47 g/mol
LogP1.66
Rot. Bonds7

About 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal

2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal (PubChem CID 143953373) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal.

Molecular Properties

Compound Name2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal
PubChem CID143953373
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC Name2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal
SMILESCCc1cc2c(N3CCn4ccnc4C3)nc(OCC(C=O)CO)nc2s1
InChIInChI=1S/C18H21N5O3S/c1-2-13-7-14-16(23-6-5-22-4-3-19-15(22)8-23)20-18(21-17(14)27-13)26-11-12(9-24)10-25/h3-4,7,9,12,25H,2,5-6,8,10-11H2,1H3
InChIKeyHLWKGAOEGWYYJQ-UHFFFAOYSA-N
XLogP1.66
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal?
The IUPAC name of 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal (CID 143953373) is 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal.
What is the SMILES notation for 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal?
The canonical SMILES for 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal is CCc1cc2c(N3CCn4ccnc4C3)nc(OCC(C=O)CO)nc2s1.
What is the InChIKey of 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal?
The InChIKey is HLWKGAOEGWYYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-2-13-7-14-16(23-6-5-22-4-3-19-15(22)8-23)20-18(21-17(14)27-13)26-11-12(9-24)10-25/h3-4,7,9,12,25H,2,5-6,8,10-11H2,1H3.
What are the key properties of 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal?
2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal has a molecular weight of 387.47 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal is sourced from PubChem (CID 143953373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).