5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione

C9H14ClN3O2 — CID 66423993

IUPAC5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCNCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H14ClN3O2/c1-2-3-11-4-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15)
InChIKeyGXOHFTJGIYQWHL-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.19
Rot. Bonds5

About 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione

5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione (PubChem CID 66423993) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione
PubChem CID66423993
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione
SMILESCCCNCCn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C9H14ClN3O2/c1-2-3-11-4-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15)
InChIKeyGXOHFTJGIYQWHL-UHFFFAOYSA-N
XLogP0.19
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.19
H-Bond Donors ≤ 52
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 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione (CID 66423993) is 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione is CCCNCCn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione?
The InChIKey is GXOHFTJGIYQWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-2-3-11-4-5-13-6-7(10)8(14)12-9(13)15/h6,11H,2-5H2,1H3,(H,12,14,15).
What are the key properties of 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione?
5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione has a molecular weight of 231.68 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-(propylamino)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66423993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).