5-chloro-1-propan-2-ylpyrimidine-2,4-dione

C7H9ClN2O2 — CID 58194995

IUPAC5-chloro-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12)
InChIKeyQXKHALJNYBFHLG-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.77
Rot. Bonds1

About 5-chloro-1-propan-2-ylpyrimidine-2,4-dione

5-chloro-1-propan-2-ylpyrimidine-2,4-dione (PubChem CID 58194995) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 5-chloro-1-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-propan-2-ylpyrimidine-2,4-dione
PubChem CID58194995
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name5-chloro-1-propan-2-ylpyrimidine-2,4-dione
SMILESCC(C)n1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C7H9ClN2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12)
InChIKeyQXKHALJNYBFHLG-UHFFFAOYSA-N
XLogP0.77
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dioxo-1-propan-2-ylpyrimidine-5-sulfonyl chloride
CID 84707700
5-(4-fluorophenyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 175852243
3-amino-2-(5-chloro-2,4-dioxopyrimidin-1-yl)propanoic acid
CID 130492094
5-bromo-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 162083169
5-methyl-1-propan-2-ylpyrimidine-2,4-dione;1-propan-2-ylpyrimidine-2,4-dione
CID 161423675
2-oxo-3-propan-2-yl-1H-imidazole-5-carboxylic acid
CID 117190011
5-but-3-enyl-1-propan-2-ylpyrimidine-2,4-dione
CID 58462461
5-(3-hydroxyprop-1-ynyl)-1-propan-2-ylpyrimidine-2,4-dione
CID 164872342
1-propan-2-yl-5-(4-propan-2-yltriazol-1-yl)pyrimidine-2,4-dione
CID 122543570
2-[3,5-dichloro-4-(2,4-dioxo-1-propan-2-ylpyrimidin-5-yl)oxyphenyl]-3,5-dioxo-1,2,4-triazine-6-carbonitrile
CID 162137288
5-chloro-1-[2-(5-methylhexan-2-ylamino)ethyl]pyrimidine-2,4-dione
CID 66425383
4-amino-5-chloro-1-propan-2-ylpyrimidin-2-one
CID 167120999

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-propan-2-ylpyrimidine-2,4-dione (CID 58194995) is 5-chloro-1-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-propan-2-ylpyrimidine-2,4-dione is CC(C)n1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is QXKHALJNYBFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-4(2)10-3-5(8)6(11)9-7(10)12/h3-4H,1-2H3,(H,9,11,12).
What are the key properties of 5-chloro-1-propan-2-ylpyrimidine-2,4-dione?
5-chloro-1-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 188.61 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 58194995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).