2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one

C20H23N5O2 — CID 130376815

IUPAC2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2ncc3c(n2)CC(=O)N3)CC1
InChIInChI=1S/C20H23N5O2/c1-13(15-3-2-14-4-9-27-18(14)10-15)24-5-7-25(8-6-24)20-21-12-17-16(23-20)11-19(26)22-17/h2-3,10,12-13H,4-9,11H2,1H3,(H,22,26)
InChIKeyROZVBRGVJXYWNS-UHFFFAOYSA-N
MW365.44 g/mol
LogP1.79
Rot. Bonds3

About 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one

2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one (PubChem CID 130376815) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
PubChem CID130376815
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
SMILESCC(c1ccc2c(c1)OCC2)N1CCN(c2ncc3c(n2)CC(=O)N3)CC1
InChIInChI=1S/C20H23N5O2/c1-13(15-3-2-14-4-9-27-18(14)10-15)24-5-7-25(8-6-24)20-21-12-17-16(23-20)11-19(26)22-17/h2-3,10,12-13H,4-9,11H2,1H3,(H,22,26)
InChIKeyROZVBRGVJXYWNS-UHFFFAOYSA-N
XLogP1.79
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]oxetan-3-ol
CID 130366453
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-4-yl]ethanone
CID 163921624
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4-(methylaminomethyl)pyrimidine-5-carbaldehyde
CID 166989736
1-[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]cyclohexan-1-ol
CID 130366543
[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-methyl-oxo-propan-2-ylimino-λ6-sulfane
CID 142414088
[2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethylimino-methyl-oxo-λ6-sulfane
CID 153306256
[2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethylimino-methyl-oxo-λ6-sulfane
CID 142414040
[2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]pyrimidin-5-yl]-ethylimino-methyl-λ4-sulfane
CID 142413984
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 145356826
1-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-4-(1-methylpyrazol-4-yl)piperazine
CID 130376943
2-morpholin-4-yl-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one
CID 151380266
1-[2-[4-[(1S)-1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]ethanone
CID 130376924

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The IUPAC name of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one (CID 130376815) is 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one.
What is the SMILES notation for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The canonical SMILES for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one is CC(c1ccc2c(c1)OCC2)N1CCN(c2ncc3c(n2)CC(=O)N3)CC1.
What is the InChIKey of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
The InChIKey is ROZVBRGVJXYWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13(15-3-2-14-4-9-27-18(14)10-15)24-5-7-25(8-6-24)20-21-12-17-16(23-20)11-19(26)22-17/h2-3,10,12-13H,4-9,11H2,1H3,(H,22,26).
What are the key properties of 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one?
2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one has a molecular weight of 365.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]piperazin-1-yl]-5,7-dihydropyrrolo[3,2-d]pyrimidin-6-one is sourced from PubChem (CID 130376815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).