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

C7H8BrN3O2 — CID 23648494

IUPAC5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(NC2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
InChIKeyDSQFEYRZKLNHPX-UHFFFAOYSA-N
MW246.06 g/mol
LogP0.40
Rot. Bonds2

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

5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione (PubChem CID 23648494) has the molecular formula C7H8BrN3O2 and a molecular weight of 246.06 g/mol. Its IUPAC name is 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione
PubChem CID23648494
Molecular FormulaC7H8BrN3O2
Molecular Weight246.06 g/mol
Exact Mass244.98
IUPAC Name5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(NC2CC2)c(Br)c(=O)[nH]1
InChIInChI=1S/C7H8BrN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13)
InChIKeyDSQFEYRZKLNHPX-UHFFFAOYSA-N
XLogP0.40
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.06
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione (CID 23648494) is 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione is O=c1[nH]c(NC2CC2)c(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione?
The InChIKey is DSQFEYRZKLNHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3O2/c8-4-5(9-3-1-2-3)10-7(13)11-6(4)12/h3H,1-2H2,(H3,9,10,11,12,13).
What are the key properties of 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione?
5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione has a molecular weight of 246.06 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(cyclopropylamino)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).