6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C23H34N6O4 — CID 55536136

IUPAC6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N6O4/c1-4-5-8-28(19-20(24)29(13-15(2)3)23(33)26-21(19)31)14-18(30)16-11-17(25-12-16)22(32)27-9-6-7-10-27/h11-12,15,25H,4-10,13-14,24H2,1-3H3,(H,26,31,33)
InChIKeyGTLOBWRATHCLEE-UHFFFAOYSA-N
MW458.56 g/mol
LogP1.83
Rot. Bonds10

About 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 55536136) has the molecular formula C23H34N6O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID55536136
Molecular FormulaC23H34N6O4
Molecular Weight458.56 g/mol
Exact Mass458.26
IUPAC Name6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCCCCN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H34N6O4/c1-4-5-8-28(19-20(24)29(13-15(2)3)23(33)26-21(19)31)14-18(30)16-11-17(25-12-16)22(32)27-9-6-7-10-27/h11-12,15,25H,4-10,13-14,24H2,1-3H3,(H,26,31,33)
InChIKeyGTLOBWRATHCLEE-UHFFFAOYSA-N
XLogP1.83
TPSA137.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 55536136) is 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is CCCCN(CC(=O)c1c[nH]c(C(=O)N2CCCC2)c1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is GTLOBWRATHCLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O4/c1-4-5-8-28(19-20(24)29(13-15(2)3)23(33)26-21(19)31)14-18(30)16-11-17(25-12-16)22(32)27-9-6-7-10-27/h11-12,15,25H,4-10,13-14,24H2,1-3H3,(H,26,31,33).
What are the key properties of 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 458.56 g/mol, XLogP of 1.83, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[butyl-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 55536136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).