(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate

C16H15N3O6 — CID 153333578

IUPAC(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate
SMILESCOc1cc(OC)c2oc(COC(=O)Nc3ccnc(=O)[nH]3)cc2c1
InChIInChI=1S/C16H15N3O6/c1-22-10-5-9-6-11(25-14(9)12(7-10)23-2)8-24-16(21)19-13-3-4-17-15(20)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyVKTKMMPZWUEKDF-UHFFFAOYSA-N
MW345.31 g/mol
LogP2.28
Rot. Bonds5

About (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate

(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate (PubChem CID 153333578) has the molecular formula C16H15N3O6 and a molecular weight of 345.31 g/mol. Its IUPAC name is (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate.

Molecular Properties

Compound Name(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate
PubChem CID153333578
Molecular FormulaC16H15N3O6
Molecular Weight345.31 g/mol
Exact Mass345.10
IUPAC Name(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate
SMILESCOc1cc(OC)c2oc(COC(=O)Nc3ccnc(=O)[nH]3)cc2c1
InChIInChI=1S/C16H15N3O6/c1-22-10-5-9-6-11(25-14(9)12(7-10)23-2)8-24-16(21)19-13-3-4-17-15(20)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyVKTKMMPZWUEKDF-UHFFFAOYSA-N
XLogP2.28
TPSA115.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-hydroxy-4-methyl-2H-chromen-7-yl)carbamate
CID 134350817
4-(4-methoxyphenyl)-4-oxo-N-(2-oxo-1H-pyrimidin-6-yl)butanamide
CID 108807771
3,4-dimethoxy-N-(2-oxo-1H-pyrimidin-6-yl)benzamide
CID 69002184
[4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]phenyl]methanol;ethyl 4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxy]benzoate
CID 163689391
2-butyl-5,7-dimethoxy-1-benzofuran
CID 135058890
ethyl 2-[[[(2S)-5-[4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxycarbonylamino]-2-oxopyrimidin-1-yl]-4,4-difluorooxolan-2-yl]methoxy-(propan-2-ylamino)phosphanyl]amino]acetate
CID 139376556
2-morpholin-4-ylethyl 2-[[[(2S,5R)-5-[4-[(5,7-dimethoxy-1-benzofuran-2-yl)methoxycarbonylamino]-2-oxopyrimidin-1-yl]-4,4-difluorooxolan-2-yl]methoxy-phenoxyphosphanyl]amino]acetate
CID 139376589
(2,4-dimethoxyphenyl)methyl N-(1,3-oxazol-4-yl)carbamate
CID 86687690
N-(2-oxo-1H-pyrimidin-6-yl)-2-propylpentanamide
CID 154512190
benzyl N-(2-carbamoyl-4,6-dimethoxyphenyl)carbamate
CID 70300379
1-[(Z,2E)-2-ethylidenepent-3-enyl]-3-(2-oxo-1H-pyrimidin-6-yl)urea
CID 142134205
3-[(1S,2R)-1,2-dihydroxypropyl]-6,8-dimethoxychromen-2-one
CID 162998450

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate?
The IUPAC name of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate (CID 153333578) is (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate.
What is the SMILES notation for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate?
The canonical SMILES for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate is COc1cc(OC)c2oc(COC(=O)Nc3ccnc(=O)[nH]3)cc2c1.
What is the InChIKey of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate?
The InChIKey is VKTKMMPZWUEKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O6/c1-22-10-5-9-6-11(25-14(9)12(7-10)23-2)8-24-16(21)19-13-3-4-17-15(20)18-13/h3-7H,8H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate?
(5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate has a molecular weight of 345.31 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxy-1-benzofuran-2-yl)methyl N-(2-oxo-1H-pyrimidin-6-yl)carbamate is sourced from PubChem (CID 153333578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).