5-chloro-1-cyclopentylpyrimidine-2,4-dione

C9H11ClN2O2 — CID 16724014

IUPAC5-chloro-1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyDONSGUVOEGHXSY-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.31
Rot. Bonds1

About 5-chloro-1-cyclopentylpyrimidine-2,4-dione

5-chloro-1-cyclopentylpyrimidine-2,4-dione (PubChem CID 16724014) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 5-chloro-1-cyclopentylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-cyclopentylpyrimidine-2,4-dione
PubChem CID16724014
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name5-chloro-1-cyclopentylpyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C2CCCC2)cc1Cl
InChIInChI=1S/C9H11ClN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14)
InChIKeyDONSGUVOEGHXSY-UHFFFAOYSA-N
XLogP1.31
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-hexyl-2,4-dioxo-pyrimidine-1-carboxamide
CID 71718225
1-cyclopentylpyrimidine-2,4(1H,3H)-dione
CID 10058121
1-Cyclopentyl-5-fluoropyrimidine-2,4-dione
CID 10352697
1-Cyclopentyl-5-iodopyrimidine-2,4-dione
CID 16724016
1-Cyclopentylcarbamoyl-5-fluorouracil
CID 10824012
1-(4-Cyanobutyl)-5-chlorouracil
CID 66423587
6-chloro-3-cyclopentyl-5-fluoro-1H-pyrimidine-2,4-dione
CID 104370291
5-chloro-3-cyclohexyl-1H-pyrimidine-2,4-dione
CID 21430068
3-butan-2-yl-5-chloro-1H-pyrimidine-2,4-dione
CID 21531749
5-Chloro-1-propan-2-ylpyrimidine-2,4-dione
CID 58194995
5-(5-Chloro-2,4-dioxopyrimidin-1-yl)pentanamide
CID 69317321
1-Cyclopentyl-5-deuteriopyrimidine-2,4-dione
CID 175916750

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-cyclopentylpyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-cyclopentylpyrimidine-2,4-dione (CID 16724014) is 5-chloro-1-cyclopentylpyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-cyclopentylpyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-cyclopentylpyrimidine-2,4-dione is O=c1[nH]c(=O)n(C2CCCC2)cc1Cl.
What is the InChIKey of 5-chloro-1-cyclopentylpyrimidine-2,4-dione?
The InChIKey is DONSGUVOEGHXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-5-12(6-3-1-2-4-6)9(14)11-8(7)13/h5-6H,1-4H2,(H,11,13,14).
What are the key properties of 5-chloro-1-cyclopentylpyrimidine-2,4-dione?
5-chloro-1-cyclopentylpyrimidine-2,4-dione has a molecular weight of 214.65 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-cyclopentylpyrimidine-2,4-dione is sourced from PubChem (CID 16724014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).