5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C8H11N3O4 — CID 134136455

IUPAC5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c9-3-1-2-4-5(7(13)14)10-8(15)11-6(4)12/h1-3,9H2,(H,13,14)(H2,10,11,12,15)
InChIKeyIILYHPIGHWOMEW-UHFFFAOYSA-N
MW213.19 g/mol
LogP-1.35
Rot. Bonds4

About 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 134136455) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID134136455
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11N3O4/c9-3-1-2-4-5(7(13)14)10-8(15)11-6(4)12/h1-3,9H2,(H,13,14)(H2,10,11,12,15)
InChIKeyIILYHPIGHWOMEW-UHFFFAOYSA-N
XLogP-1.35
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 134136455) is 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCCCc1c(C(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is IILYHPIGHWOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c9-3-1-2-4-5(7(13)14)10-8(15)11-6(4)12/h1-3,9H2,(H,13,14)(H2,10,11,12,15).
What are the key properties of 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -1.35, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 134136455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).