5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione

C11H7Cl2FN2O2 — CID 112549898

IUPAC5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(F)c2Cl)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-5-16(11(18)15-10(7)17)4-6-2-1-3-8(14)9(6)13/h1-3,5H,4H2,(H,15,17,18)
InChIKeyCQEFALHQRATRFB-UHFFFAOYSA-N
MW289.09 g/mol
LogP2.03
Rot. Bonds2

About 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 112549898) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID112549898
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(F)c2Cl)cc1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c12-7-5-16(11(18)15-10(7)17)4-6-2-1-3-8(14)9(6)13/h1-3,5H,4H2,(H,15,17,18)
InChIKeyCQEFALHQRATRFB-UHFFFAOYSA-N
XLogP2.03
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-[(2,6-dichloro-3-pyridinyl)methyl]pyrimidine-2,4-dione
CID 106994229
3-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzohydrazide
CID 107459004
5-chloro-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrimidine-2,4-dione
CID 66423572
2-[(5-chloro-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile
CID 103760336
5-chloro-1-[2-(2-fluoroanilino)ethyl]pyrimidine-2,4-dione
CID 66425186
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-2-carbaldehyde
CID 112652874
1-[(2-chloro-3-fluorophenyl)methyl]-3-methylimidazol-2-one
CID 116624629
1-[(5-amino-2-methoxyphenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66423554
3,5-dibromo-1-[(2-chloro-3-fluorophenyl)methyl]pyridin-2-one
CID 113411879
2-[2-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461186
5-chloro-1-[(3-methoxyphenyl)methyl]pyrimidine-2,4-dione
CID 66425761
1-[(2-bromo-4-nitrophenyl)methyl]-5-chloropyrimidine-2,4-dione
CID 66425169

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 112549898) is 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2cccc(F)c2Cl)cc1Cl.
What is the InChIKey of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is CQEFALHQRATRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c12-7-5-16(11(18)15-10(7)17)4-6-2-1-3-8(14)9(6)13/h1-3,5H,4H2,(H,15,17,18).
What are the key properties of 5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(2-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 289.09 g/mol, XLogP of 2.03, 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-chloro-3-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112549898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).