6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione

C7H10BrN3O2 — CID 83866871

IUPAC6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(N)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-3(9)2-4-5(8)6(12)11-7(13)10-4/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyIPITWHCWMMGQHR-UHFFFAOYSA-N
MW248.08 g/mol
LogP-0.28
Rot. Bonds2

About 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione

6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione (PubChem CID 83866871) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
PubChem CID83866871
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione
SMILESCC(N)Cc1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H10BrN3O2/c1-3(9)2-4-5(8)6(12)11-7(13)10-4/h3H,2,9H2,1H3,(H2,10,11,12,13)
InChIKeyIPITWHCWMMGQHR-UHFFFAOYSA-N
XLogP-0.28
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 5-0.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione (CID 83866871) is 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione is CC(N)Cc1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
The InChIKey is IPITWHCWMMGQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-3(9)2-4-5(8)6(12)11-7(13)10-4/h3H,2,9H2,1H3,(H2,10,11,12,13).
What are the key properties of 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione?
6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione has a molecular weight of 248.08 g/mol, XLogP of -0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminopropyl)-5-bromo-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 83866871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).