N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide

C25H26N4O5 — CID 51363720

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1OC
InChIInChI=1S/C25H26N4O5/c1-27-14-18(17-8-6-5-7-9-17)22-23(27)24(31)28(2)25(32)29(22)15-21(30)26-13-16-10-11-19(33-3)20(12-16)34-4/h5-12,14H,13,15H2,1-4H3,(H,26,30)
InChIKeyVPLLXBBIOFQDEL-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.04
Rot. Bonds7

About N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide (PubChem CID 51363720) has the molecular formula C25H26N4O5 and a molecular weight of 462.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
PubChem CID51363720
Molecular FormulaC25H26N4O5
Molecular Weight462.51 g/mol
Exact Mass462.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1OC
InChIInChI=1S/C25H26N4O5/c1-27-14-18(17-8-6-5-7-9-17)22-23(27)24(31)28(2)25(32)29(22)15-21(30)26-13-16-10-11-19(33-3)20(12-16)34-4/h5-12,14H,13,15H2,1-4H3,(H,26,30)
InChIKeyVPLLXBBIOFQDEL-UHFFFAOYSA-N
XLogP2.04
TPSA96.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-bromophenyl)-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide
CID 51363686
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 46925484
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide
CID 46684237
2-[(2Z,5Z)-2,5-dibenzylidene-4-methyl-3,6-dioxopiperazin-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 67770794
N-[(4-methoxyphenyl)methyl]-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502426
N-[(3,4-dimethoxyphenyl)methyl]-2-phenylsulfanylacetamide
CID 2707709
N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide
CID 803893
1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 73253839
N-[(3,4-dimethoxyphenyl)methyl]-2-(14-oxo-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-3-yl)acetamide
CID 71825727
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,3-dimethyl-2-oxoindol-1-yl)acetamide
CID 53057385
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(4-phenyltriazol-1-yl)acetamide
CID 166220952
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 7928589

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide (CID 51363720) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide is COc1ccc(CNC(=O)Cn2c(=O)n(C)c(=O)c3c2c(-c2ccccc2)cn3C)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
The InChIKey is VPLLXBBIOFQDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O5/c1-27-14-18(17-8-6-5-7-9-17)22-23(27)24(31)28(2)25(32)29(22)15-21(30)26-13-16-10-11-19(33-3)20(12-16)34-4/h5-12,14H,13,15H2,1-4H3,(H,26,30).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide has a molecular weight of 462.51 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(3,5-dimethyl-2,4-dioxo-7-phenylpyrrolo[3,2-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 51363720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).