5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione

C8H11ClN2O2 — CID 748600

IUPAC5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-5(2)3-11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13)
InChIKeyWPKGAEMKSFDMET-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.85
Rot. Bonds2

About 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione

5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 748600) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID748600
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCC(C)Cn1cc(Cl)c(=O)[nH]c1=O
InChIInChI=1S/C8H11ClN2O2/c1-5(2)3-11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13)
InChIKeyWPKGAEMKSFDMET-UHFFFAOYSA-N
XLogP0.85
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 748600) is 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione is CC(C)Cn1cc(Cl)c(=O)[nH]c1=O.
What is the InChIKey of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is WPKGAEMKSFDMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O2/c1-5(2)3-11-4-6(9)7(12)10-8(11)13/h4-5H,3H2,1-2H3,(H,10,12,13).
What are the key properties of 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione?
5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 202.64 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 748600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).