4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one

C25H23N5O3S — CID 71622388

IUPAC4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCNc1ccc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ccc(-c4cncs4)cc23)cn1
InChIInChI=1S/C25H23N5O3S/c1-26-21-7-5-16(12-28-21)22-24-23(30(25(31)29-22)9-8-17-3-2-10-32-17)18-11-15(4-6-19(18)33-24)20-13-27-14-34-20/h4-7,11-14,17H,2-3,8-10H2,1H3,(H,26,28)
InChIKeyKHLFZXQFKMJFMO-UHFFFAOYSA-N
MW473.56 g/mol
LogP4.94
Rot. Bonds6

About 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one

4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one (PubChem CID 71622388) has the molecular formula C25H23N5O3S and a molecular weight of 473.56 g/mol. Its IUPAC name is 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one
PubChem CID71622388
Molecular FormulaC25H23N5O3S
Molecular Weight473.56 g/mol
Exact Mass473.15
IUPAC Name4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one
SMILESCNc1ccc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ccc(-c4cncs4)cc23)cn1
InChIInChI=1S/C25H23N5O3S/c1-26-21-7-5-16(12-28-21)22-24-23(30(25(31)29-22)9-8-17-3-2-10-32-17)18-11-15(4-6-19(18)33-24)20-13-27-14-34-20/h4-7,11-14,17H,2-3,8-10H2,1H3,(H,26,28)
InChIKeyKHLFZXQFKMJFMO-UHFFFAOYSA-N
XLogP4.94
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.56
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one with MolForge

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Related Compounds

6-(5-methoxy-2-pyridinyl)-12-(1-methylpyrazol-4-yl)-3-[2-(oxolan-2-yl)ethyl]-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 71681253
N-(oxan-4-yl)-6-(1,3-thiazol-5-yl)quinazolin-4-amine
CID 118736916
4-ethyl-2-[6-[2-[(2S)-oxolan-2-yl]ethylamino]-3-pyridinyl]-1H-pyrimidin-6-one
CID 136714200
N-methyl-1-[6-(1,3-thiazol-5-yl)-1,3,4,5-tetrahydro-2-benzoxepin-1-yl]methanamine
CID 137460394
1-[(2R)-oxolan-2-yl]-2-[6-(1,3-thiazol-5-yl)isoquinolin-3-yl]ethanone
CID 161456067
5-fluoro-2-[2-[(2R)-oxolan-2-yl]ethyl]isoindole-1,3-dione
CID 99827046
N-ethyl-6-(methylamino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 62179784
2-[(2R)-oxolan-2-yl]-N-(5-phenyl-2-pyridinyl)acetamide
CID 129403217
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2-methyl-1-[2-(oxolan-2-yl)ethyl]benzimidazole-4-carboxylic acid
CID 115543363
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 61039267
6-methyl-2-(4-methylphenyl)-N-(oxolan-2-ylmethyl)chromen-4-imine
CID 5146613

Frequently Asked Questions

What is the IUPAC name of 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The IUPAC name of 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one (CID 71622388) is 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one.
What is the SMILES notation for 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The canonical SMILES for 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one is CNc1ccc(-c2nc(=O)n(CCC3CCCO3)c3c2oc2ccc(-c4cncs4)cc23)cn1.
What is the InChIKey of 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
The InChIKey is KHLFZXQFKMJFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3S/c1-26-21-7-5-16(12-28-21)22-24-23(30(25(31)29-22)9-8-17-3-2-10-32-17)18-11-15(4-6-19(18)33-24)20-13-27-14-34-20/h4-7,11-14,17H,2-3,8-10H2,1H3,(H,26,28).
What are the key properties of 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one?
4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one has a molecular weight of 473.56 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(methylamino)-3-pyridinyl]-1-[2-(oxolan-2-yl)ethyl]-8-(1,3-thiazol-5-yl)-[1]benzofuro[3,2-d]pyrimidin-2-one is sourced from PubChem (CID 71622388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).