5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione

C10H16BrN3O2 — CID 107104128

IUPAC5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-3-13(4-2)5-6-14-9(15)8(11)7-12-10(14)16/h7H,3-6H2,1-2H3,(H,12,16)
InChIKeyMYTYOMQLXPRAND-UHFFFAOYSA-N
MW290.16 g/mol
LogP0.64
Rot. Bonds5

About 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione

5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 107104128) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID107104128
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(=O)[nH]cc(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-3-13(4-2)5-6-14-9(15)8(11)7-12-10(14)16/h7H,3-6H2,1-2H3,(H,12,16)
InChIKeyMYTYOMQLXPRAND-UHFFFAOYSA-N
XLogP0.64
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione (CID 107104128) is 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione is CCN(CC)CCn1c(=O)[nH]cc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is MYTYOMQLXPRAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-13(4-2)5-6-14-9(15)8(11)7-12-10(14)16/h7H,3-6H2,1-2H3,(H,12,16).
What are the key properties of 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione?
5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 290.16 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(diethylamino)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).