3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one

C19H17N3O2 — CID 102169813

IUPAC3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-2-12-20-19-21-16-14-10-6-7-11-15(14)24-17(16)18(23)22(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,21)
InChIKeyHCBRNVBOEKERSM-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.95
Rot. Bonds4

About 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one

3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 102169813) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID102169813
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1
InChIInChI=1S/C19H17N3O2/c1-2-12-20-19-21-16-14-10-6-7-11-15(14)24-17(16)18(23)22(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,21)
InChIKeyHCBRNVBOEKERSM-UHFFFAOYSA-N
XLogP3.95
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 20882268
N-(3-methylphenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 2150441
N-benzyl-2-[[3-(4-ethoxyphenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 20882325
3-(4-chlorophenyl)-2-[di(propan-2-yl)amino]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 91331307
N-(3-fluorophenyl)-2-[(4-oxo-3-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
CID 16815555
2-[3-(dimethylamino)propylamino]-3-phenylquinazolin-4-one
CID 53368642
N-(2-ethylphenyl)-2-[[3-(4-methylphenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 2151609
N-(4-ethoxyphenyl)-2-[[3-(4-ethoxyphenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 16801084
4-benzyl-N-propyl-[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
CID 176582791
N-(4-fluorophenyl)-2-[[3-(4-fluorophenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 20882278
N-(3,4-dimethylphenyl)-2-[[3-(3,4-dimethylphenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 18559589
2-[[3-(4-fluorophenyl)-4-oxo-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]-N-(4-methylphenyl)acetamide
CID 18559546

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 102169813) is 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one is CCCNc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1.
What is the InChIKey of 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is HCBRNVBOEKERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-2-12-20-19-21-16-14-10-6-7-11-15(14)24-17(16)18(23)22(19)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,20,21).
What are the key properties of 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one?
3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 319.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(propylamino)-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102169813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).