[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C20H29N5O5 — CID 8886348

IUPAC[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCCCN(C(=O)COC(=O)c1cccn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O5/c1-5-6-10-24(15(26)12-30-19(28)14-8-7-9-23(14)4)16-17(21)25(11-13(2)3)20(29)22-18(16)27/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,27,29)
InChIKeyQNFTWKLTRGSAMZ-UHFFFAOYSA-N
MW419.48 g/mol
LogP1.10
Rot. Bonds9

About [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 8886348) has the molecular formula C20H29N5O5 and a molecular weight of 419.48 g/mol. Its IUPAC name is [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID8886348
Molecular FormulaC20H29N5O5
Molecular Weight419.48 g/mol
Exact Mass419.22
IUPAC Name[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCCCN(C(=O)COC(=O)c1cccn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H29N5O5/c1-5-6-10-24(15(26)12-30-19(28)14-8-7-9-23(14)4)16-17(21)25(11-13(2)3)20(29)22-18(16)27/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,27,29)
InChIKeyQNFTWKLTRGSAMZ-UHFFFAOYSA-N
XLogP1.10
TPSA132.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2650023
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,6-dimethylphenoxy)acetamide
CID 26211241
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 1,5-dimethylpyrrole-2-carboxylate
CID 38866104
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(4-methylphenoxy)acetamide
CID 26211215
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-3-(2-chlorophenyl)propanamide
CID 31492440
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-hydroxybenzoate
CID 16540237
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 2-methylpropanoate
CID 7782512
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-(2,4-difluorophenoxy)acetamide
CID 30853202
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 55327694
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-ethoxybenzamide
CID 26211467
[2-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-butylamino]-2-oxoethyl] 4-bromobenzoate
CID 2650940

Frequently Asked Questions

What is the IUPAC name of [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 8886348) is [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is CCCCN(C(=O)COC(=O)c1cccn1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is QNFTWKLTRGSAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O5/c1-5-6-10-24(15(26)12-30-19(28)14-8-7-9-23(14)4)16-17(21)25(11-13(2)3)20(29)22-18(16)27/h7-9,13H,5-6,10-12,21H2,1-4H3,(H,22,27,29).
What are the key properties of [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 419.48 g/mol, XLogP of 1.10, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 8886348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).