5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C14H23N3O4 — CID 2053827

IUPAC5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCCCN(CCCC)Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-3-5-7-17(8-6-4-2)9-10-11(13(19)20)15-14(21)16-12(10)18/h3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyZYACRERYXQHGKH-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.16
Rot. Bonds9

About 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 2053827) has the molecular formula C14H23N3O4 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID2053827
Molecular FormulaC14H23N3O4
Molecular Weight297.35 g/mol
Exact Mass297.17
IUPAC Name5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESCCCCN(CCCC)Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O4/c1-3-5-7-17(8-6-4-2)9-10-11(13(19)20)15-14(21)16-12(10)18/h3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21)
InChIKeyZYACRERYXQHGKH-UHFFFAOYSA-N
XLogP1.16
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 2053827) is 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is CCCCN(CCCC)Cc1c(C(=O)O)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is ZYACRERYXQHGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-3-5-7-17(8-6-4-2)9-10-11(13(19)20)15-14(21)16-12(10)18/h3-9H2,1-2H3,(H,19,20)(H2,15,16,18,21).
What are the key properties of 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 1.16, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dibutylamino)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 2053827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).