6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

C23H25N5O4 — CID 56682296

IUPAC6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccco4)[nH]c3c2=O)CC1
InChIInChI=1S/C23H25N5O4/c1-31-20-6-3-2-5-18(20)27-11-8-26(9-12-27)10-13-28-22(29)21-17(25-23(28)30)15-16(24-21)19-7-4-14-32-19/h2-7,14-15,24H,8-13H2,1H3,(H,25,30)
InChIKeyKZXFKENAXRXAJC-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.11
Rot. Bonds6

About 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione

6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (PubChem CID 56682296) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
PubChem CID56682296
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccco4)[nH]c3c2=O)CC1
InChIInChI=1S/C23H25N5O4/c1-31-20-6-3-2-5-18(20)27-11-8-26(9-12-27)10-13-28-22(29)21-17(25-23(28)30)15-16(24-21)19-7-4-14-32-19/h2-7,14-15,24H,8-13H2,1H3,(H,25,30)
InChIKeyKZXFKENAXRXAJC-UHFFFAOYSA-N
XLogP2.11
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-hydroxyethyl)-2-(4-(1-methyl-2,4-dioxo-3-propyl-2,3,4,5-tetrahydro-1H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy)acetamide
CID 44583036
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 4013695
3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-6-phenyl-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 11212981
6-(4-Methoxy-phenyl)-3-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-1,5-dihydro-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 44399581
N-[2,3-bis(2-furyl)quinoxalin-6-yl]morpholine-4-carboxamide
CID 1072900
6-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]phenyl]-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
CID 9827315
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-phenylacetamide
CID 10204847
N-benzyl-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11495410
2-[4-(2,4-dioxo-1,3-dipropyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-(4-methoxyphenyl)propanamide
CID 11497055
N-(6-methoxy-3-pyridinyl)-2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11503616
N-(4-fluorophenyl)-2-[4-(1-methyl-2,4-dioxo-3-propyl-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]acetamide
CID 11510702
N-benzyl-2-[4-(1,3-dimethyl-2,4-dioxo-5H-pyrrolo[3,2-d]pyrimidin-6-yl)phenoxy]-N-methylacetamide
CID 11517635

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione (CID 56682296) is 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is COc1ccccc1N1CCN(CCn2c(=O)[nH]c3cc(-c4ccco4)[nH]c3c2=O)CC1.
What is the InChIKey of 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
The InChIKey is KZXFKENAXRXAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-31-20-6-3-2-5-18(20)27-11-8-26(9-12-27)10-13-28-22(29)21-17(25-23(28)30)15-16(24-21)19-7-4-14-32-19/h2-7,14-15,24H,8-13H2,1H3,(H,25,30).
What are the key properties of 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione?
6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione has a molecular weight of 435.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 56682296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).