2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C24H24ClN3O6 — CID 91894901

IUPAC2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1OC
InChIInChI=1S/C24H24ClN3O6/c1-32-18-8-7-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-5-3-4-6-16(15)25/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyFPRRQGFXKQHDQC-UHFFFAOYSA-N
MW485.92 g/mol
LogP2.59
Rot. Bonds8

About 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 91894901) has the molecular formula C24H24ClN3O6 and a molecular weight of 485.92 g/mol. Its IUPAC name is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID91894901
Molecular FormulaC24H24ClN3O6
Molecular Weight485.92 g/mol
Exact Mass485.14
IUPAC Name2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1OC
InChIInChI=1S/C24H24ClN3O6/c1-32-18-8-7-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-5-3-4-6-16(15)25/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyFPRRQGFXKQHDQC-UHFFFAOYSA-N
XLogP2.59
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.92
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide with MolForge

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Related Compounds

1,3-Benzodioxol-5-ylmethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2854508
Ethyl 4-(1,3-benzodioxol-5-yl)-6-({[2-(4-methoxyphenoxy)ethyl]amino}methyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 4916904
6-(3,4-dimethoxyphenethyl)-1-methyl-4-phenyl-3,4,6,7-tetrahydro-1H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 658794
Ethyl 4-{2-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2952111
Ethyl 4-{2-chloro-4-[(2-chlorobenzyl)oxy]-5-methoxyphenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2960414
Ethyl 4-(1,3-benzodioxol-5-yl)-6-{[(2-chlorobenzyl)amino]methyl}-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2978407
4-(1,3-benzodioxol-5-yl)-6-[[2-(4-chlorophenyl)ethylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
CID 2980951
5-acetyl-4-{4-[(2-chlorobenzyl)oxy]-3-ethoxyphenyl}-6-methyl-3,4-dihydro-2(1H)-pyrimidinone
CID 2962489
Ethyl 4-(2-chloro-4,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2922969
[2-[(3,4-Dimethoxyphenyl)methylamino]-2-oxoethyl] 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate
CID 16278953
5-acetyl-4-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 71816844
4-(4-Methoxyphenyl)-1-[2-(4-methylpiperidin-1-YL)-2-oxoethyl]-1H,2H,3H,4H,5H,7H-furo[3,4-D]pyrimidine-2,5-dione
CID 91887156

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 91894901) is 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN2C(=O)NC(c3ccccc3Cl)C3=C2COC3=O)cc1OC.
What is the InChIKey of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is FPRRQGFXKQHDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O6/c1-32-18-8-7-14(11-19(18)33-2)9-10-26-20(29)12-28-17-13-34-23(30)21(17)22(27-24(28)31)15-5-3-4-6-16(15)25/h3-8,11,22H,9-10,12-13H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 485.92 g/mol, XLogP of 2.59, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-chlorophenyl)-2,5-dioxo-4,7-dihydro-3H-furo[3,4-d]pyrimidin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 91894901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).