N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide

C20H24N4O4 — CID 42906113

IUPACN-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCCCn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C20H24N4O4/c1-3-4-10-24-17-16(19(27)23(2)20(24)28)14(18(26)22-17)11-15(25)21-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYFBVHIGADDDSEL-UHFFFAOYSA-N
MW384.44 g/mol
LogP1.09
Rot. Bonds7

About N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide

N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide (PubChem CID 42906113) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide
PubChem CID42906113
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC NameN-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide
SMILESCCCCn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCc1ccccc1)C(=O)N2
InChIInChI=1S/C20H24N4O4/c1-3-4-10-24-17-16(19(27)23(2)20(24)28)14(18(26)22-17)11-15(25)21-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,21,25)(H,22,26)
InChIKeyYFBVHIGADDDSEL-UHFFFAOYSA-N
XLogP1.09
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The IUPAC name of N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide (CID 42906113) is N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide.
What is the SMILES notation for N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The canonical SMILES for N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide is CCCCn1c2c(c(=O)n(C)c1=O)C(CC(=O)NCc1ccccc1)C(=O)N2.
What is the InChIKey of N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
The InChIKey is YFBVHIGADDDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-3-4-10-24-17-16(19(27)23(2)20(24)28)14(18(26)22-17)11-15(25)21-12-13-8-6-5-7-9-13/h5-9,14H,3-4,10-12H2,1-2H3,(H,21,25)(H,22,26).
What are the key properties of N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide?
N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide has a molecular weight of 384.44 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(1-butyl-3-methyl-2,4,6-trioxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)acetamide is sourced from PubChem (CID 42906113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).