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

C11H15ClFN3O2 — CID 113404547

IUPAC6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CCN1CCCCC1
InChIInChI=1S/C11H15ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-6-15-4-2-1-3-5-15/h1-7H2,(H,14,18)
InChIKeyQVKXJDUFZFTDFX-UHFFFAOYSA-N
MW275.71 g/mol
LogP0.81
Rot. Bonds3

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

6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione (PubChem CID 113404547) has the molecular formula C11H15ClFN3O2 and a molecular weight of 275.71 g/mol. Its IUPAC name is 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
PubChem CID113404547
Molecular FormulaC11H15ClFN3O2
Molecular Weight275.71 g/mol
Exact Mass275.08
IUPAC Name6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1CCN1CCCCC1
InChIInChI=1S/C11H15ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-6-15-4-2-1-3-5-15/h1-7H2,(H,14,18)
InChIKeyQVKXJDUFZFTDFX-UHFFFAOYSA-N
XLogP0.81
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-fluoro-3-[(3-methylcyclohexyl)methyl]-1H-pyrimidine-2,4-dione
CID 114129738
6-chloro-5-fluoro-3-[2-(3-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
CID 113404659
5-fluoro-3-(2-pyrrolidin-1-ylethyl)-1H-benzimidazol-2-one
CID 117208472
3-(2-piperidin-1-ylethyl)-7-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117206950
1-(2-piperidin-1-ylethyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 99841220
5-acetyl-3-(2-pyrrolidin-1-ylethyl)-1H-pyrimidine-2,4-dione
CID 80643350
2,4-dioxo-1-(2-piperidin-1-ylethyl)pyrimidine-5-sulfonyl chloride
CID 82914823
1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 11062806
3-[2-(4-fluorophenyl)ethyl]-6-hydroxy-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
CID 91517216
5,7-dichloro-1-(4-piperidin-1-ylbutyl)quinazoline-2,4-dione
CID 139773469
6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione
CID 113404568
7-chloro-1-(2-piperidin-1-ylethyl)-1,8-naphthyridin-2-one
CID 141163144

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione (CID 113404547) is 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1CCN1CCCCC1.
What is the InChIKey of 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is QVKXJDUFZFTDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-6-15-4-2-1-3-5-15/h1-7H2,(H,14,18).
What are the key properties of 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 275.71 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).