6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione

C10H12ClFN2O2 — CID 114542411

IUPAC6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione
SMILESCC1CCC(n2c(=O)[nH]c(Cl)c(F)c2=O)C1
InChIInChI=1S/C10H12ClFN2O2/c1-5-2-3-6(4-5)14-9(15)7(12)8(11)13-10(14)16/h5-6H,2-4H2,1H3,(H,13,16)
InChIKeyGCKHAZHKJDSULB-UHFFFAOYSA-N
MW246.67 g/mol
LogP1.69
Rot. Bonds1

About 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione

6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione (PubChem CID 114542411) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione
PubChem CID114542411
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione
SMILESCC1CCC(n2c(=O)[nH]c(Cl)c(F)c2=O)C1
InChIInChI=1S/C10H12ClFN2O2/c1-5-2-3-6(4-5)14-9(15)7(12)8(11)13-10(14)16/h5-6H,2-4H2,1H3,(H,13,16)
InChIKeyGCKHAZHKJDSULB-UHFFFAOYSA-N
XLogP1.69
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione (CID 114542411) is 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione is CC1CCC(n2c(=O)[nH]c(Cl)c(F)c2=O)C1.
What is the InChIKey of 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione?
The InChIKey is GCKHAZHKJDSULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O2/c1-5-2-3-6(4-5)14-9(15)7(12)8(11)13-10(14)16/h5-6H,2-4H2,1H3,(H,13,16).
What are the key properties of 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione has a molecular weight of 246.67 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(3-methylcyclopentyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114542411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).