[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

C29H29N5O6 — CID 24980053

IUPAC[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C29H29N5O6/c1-2-14-33(25-26(30)34(29(39)32-28(25)38)17-19-8-4-3-5-9-19)23(35)18-40-24(36)16-31-27(37)22-13-12-20-10-6-7-11-21(20)15-22/h3-13,15H,2,14,16-18,30H2,1H3,(H,31,37)(H,32,38,39)
InChIKeyYTZPUEVOMMMXOX-UHFFFAOYSA-N
MW543.58 g/mol
LogP2.04
Rot. Bonds10

About [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 24980053) has the molecular formula C29H29N5O6 and a molecular weight of 543.58 g/mol. Its IUPAC name is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID24980053
Molecular FormulaC29H29N5O6
Molecular Weight543.58 g/mol
Exact Mass543.21
IUPAC Name[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C29H29N5O6/c1-2-14-33(25-26(30)34(29(39)32-28(25)38)17-19-8-4-3-5-9-19)23(35)18-40-24(36)16-31-27(37)22-13-12-20-10-6-7-11-21(20)15-22/h3-13,15H,2,14,16-18,30H2,1H3,(H,31,37)(H,32,38,39)
InChIKeyYTZPUEVOMMMXOX-UHFFFAOYSA-N
XLogP2.04
TPSA156.59 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.58
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate with MolForge

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylnaphthalene-2-carboxamide
CID 2547125
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 24980941
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate
CID 25163656
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-2-oxoethyl] 4-oxo-4-(4-pentylphenyl)butanoate
CID 25163816
(R)-ethyl 2-(4-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-3-(2-amino-2-phenylethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)benzylamino)acetate
CID 44593613
2-aminoethanol;5-[2-[6-(ethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134132121
2-aminoethanol;5-[3-(naphthalene-1-carbonylamino)propyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134133820
2-aminoethanol;5-[2-[6-(2-hydroxyethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134139862
2-aminoethanol;5-[2-[5-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134141331
2-aminoethanol;5-[2-[5-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134146963
2-aminoethanol;5-[2-[6-(methylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134147611
2-aminoethanol;5-[2-[6-(dimethylcarbamoyl)naphthalen-2-yl]ethyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 134151915

Frequently Asked Questions

What is the IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 24980053) is [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is CCCN(C(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is YTZPUEVOMMMXOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O6/c1-2-14-33(25-26(30)34(29(39)32-28(25)38)17-19-8-4-3-5-9-19)23(35)18-40-24(36)16-31-27(37)22-13-12-20-10-6-7-11-21(20)15-22/h3-13,15H,2,14,16-18,30H2,1H3,(H,31,37)(H,32,38,39).
What are the key properties of [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 543.58 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-propylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 24980053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).