5-butyl-6-chloro-1H-pyrimidine-2,4-dione

C8H11ClN2O2 — CID 14956545

IUPAC5-butyl-6-chloro-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyCYNWJDGCUODOPW-UHFFFAOYSA-N
MW202.64 g/mol
LogP1.06
Rot. Bonds3

About 5-butyl-6-chloro-1H-pyrimidine-2,4-dione

5-butyl-6-chloro-1H-pyrimidine-2,4-dione (PubChem CID 14956545) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-butyl-6-chloro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-6-chloro-1H-pyrimidine-2,4-dione
PubChem CID14956545
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-butyl-6-chloro-1H-pyrimidine-2,4-dione
SMILESCCCCc1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h2-4H2,1H3,(H2,10,11,12,13)
InChIKeyCYNWJDGCUODOPW-UHFFFAOYSA-N
XLogP1.06
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-chloro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-butyl-6-chloro-1H-pyrimidine-2,4-dione (CID 14956545) is 5-butyl-6-chloro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-6-chloro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-6-chloro-1H-pyrimidine-2,4-dione is CCCCc1c(Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-butyl-6-chloro-1H-pyrimidine-2,4-dione?
The InChIKey is CYNWJDGCUODOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-2-3-4-5-6(9)10-8(13)11-7(5)12/h2-4H2,1H3,(H2,10,11,12,13).
What are the key properties of 5-butyl-6-chloro-1H-pyrimidine-2,4-dione?
5-butyl-6-chloro-1H-pyrimidine-2,4-dione has a molecular weight of 202.64 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-chloro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 14956545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).