5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione

C7H9BrN2O2 — CID 82390201

IUPAC5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(11)10-7(12)9-5/h3H,1-2H3,(H2,9,10,11,12)
InChIKeySVBOAMRFUWDOPA-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.95
Rot. Bonds1

About 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione

5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione (PubChem CID 82390201) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione
PubChem CID82390201
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione
SMILESCC(C)c1[nH]c(=O)[nH]c(=O)c1Br
InChIInChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(11)10-7(12)9-5/h3H,1-2H3,(H2,9,10,11,12)
InChIKeySVBOAMRFUWDOPA-UHFFFAOYSA-N
XLogP0.95
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-
CID 84757
5-Bromo-6-propylpyrimidine-2,4(1H,3H)-dione
CID 13384066
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
Uracil, 5-(2-bromoethyl)-6-methyl-
CID 147314
5-bromo-6-ethyl-2,4(1H,3H)pyrimidinedione
CID 13384065
sek.-Butyl-brom-methyl-uracil
CID 129636449
5-bromo-6-pentyl-1H-pyrimidine-2,4-dione
CID 235881
6-Isopropylpyrimidine-2,4(1H,3H)-dione
CID 246002
2-(5-Bromo-3-methyl-2,6-dioxopyrimidin-4-yl)acetamide
CID 89781745
6-(1-bromoethyl)-1H-pyrimidine-2,4-dione
CID 174932534
5-methyl-6-propan-2-yl-1H-pyrimidine-2,4-dione
CID 12512058
5-(1-bromoethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 21122718

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione (CID 82390201) is 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione is CC(C)c1[nH]c(=O)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione?
The InChIKey is SVBOAMRFUWDOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-3(2)5-4(8)6(11)10-7(12)9-5/h3H,1-2H3,(H2,9,10,11,12).
What are the key properties of 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione?
5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione has a molecular weight of 233.06 g/mol, XLogP of 0.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-propan-2-yl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 82390201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).