1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid

C11H15N3O4 — CID 79875782

IUPAC1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)c(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C11H15N3O4/c1-13(7-2-3-7)4-5-14-6-8(10(16)17)9(15)12-11(14)18/h6-7H,2-5H2,1H3,(H,16,17)(H,12,15,18)
InChIKeyMDPACEATHKXWCY-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.67
Rot. Bonds5

About 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid

1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 79875782) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID79875782
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCN(CCn1cc(C(=O)O)c(=O)[nH]c1=O)C1CC1
InChIInChI=1S/C11H15N3O4/c1-13(7-2-3-7)4-5-14-6-8(10(16)17)9(15)12-11(14)18/h6-7H,2-5H2,1H3,(H,16,17)(H,12,15,18)
InChIKeyMDPACEATHKXWCY-UHFFFAOYSA-N
XLogP-0.67
TPSA95.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid (CID 79875782) is 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid is CN(CCn1cc(C(=O)O)c(=O)[nH]c1=O)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is MDPACEATHKXWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-13(7-2-3-7)4-5-14-6-8(10(16)17)9(15)12-11(14)18/h6-7H,2-5H2,1H3,(H,16,17)(H,12,15,18).
What are the key properties of 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid?
1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 253.26 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(methyl)amino]ethyl]-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 79875782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).