3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid

C8H11N3O4 — CID 54516772

IUPAC3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
SMILESO=C(O)NCCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c12-6-2-4-9-7(13)11(6)5-1-3-10-8(14)15/h2,4,10H,1,3,5H2,(H,9,13)(H,14,15)
InChIKeyYMYNJNAORMMJID-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.81
Rot. Bonds4

About 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid

3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid (PubChem CID 54516772) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
PubChem CID54516772
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid
SMILESO=C(O)NCCCn1c(=O)cc[nH]c1=O
InChIInChI=1S/C8H11N3O4/c12-6-2-4-9-7(13)11(6)5-1-3-10-8(14)15/h2,4,10H,1,3,5H2,(H,9,13)(H,14,15)
InChIKeyYMYNJNAORMMJID-UHFFFAOYSA-N
XLogP-0.81
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid (CID 54516772) is 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid is O=C(O)NCCCn1c(=O)cc[nH]c1=O.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid?
The InChIKey is YMYNJNAORMMJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-6-2-4-9-7(13)11(6)5-1-3-10-8(14)15/h2,4,10H,1,3,5H2,(H,9,13)(H,14,15).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid?
3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid has a molecular weight of 213.19 g/mol, XLogP of -0.81, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-3-yl)propylcarbamic acid is sourced from PubChem (CID 54516772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).