6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione

C8H9ClF2N2O2 — CID 164654654

IUPAC6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(CC(C)(F)F)c1=O
InChIInChI=1S/C8H9ClF2N2O2/c1-4-5(9)12-7(15)13(6(4)14)3-8(2,10)11/h3H2,1-2H3,(H,12,15)
InChIKeyVEDUVKVNUCLMGC-UHFFFAOYSA-N
MW238.62 g/mol
LogP1.15
Rot. Bonds2

About 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione

6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 164654654) has the molecular formula C8H9ClF2N2O2 and a molecular weight of 238.62 g/mol. Its IUPAC name is 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione
PubChem CID164654654
Molecular FormulaC8H9ClF2N2O2
Molecular Weight238.62 g/mol
Exact Mass238.03
IUPAC Name6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione
SMILESCc1c(Cl)[nH]c(=O)n(CC(C)(F)F)c1=O
InChIInChI=1S/C8H9ClF2N2O2/c1-4-5(9)12-7(15)13(6(4)14)3-8(2,10)11/h3H2,1-2H3,(H,12,15)
InChIKeyVEDUVKVNUCLMGC-UHFFFAOYSA-N
XLogP1.15
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.62
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione (CID 164654654) is 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione is Cc1c(Cl)[nH]c(=O)n(CC(C)(F)F)c1=O.
What is the InChIKey of 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is VEDUVKVNUCLMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF2N2O2/c1-4-5(9)12-7(15)13(6(4)14)3-8(2,10)11/h3H2,1-2H3,(H,12,15).
What are the key properties of 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione?
6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 238.62 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-difluoropropyl)-5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 164654654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).