6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione

C13H13ClN2O2 — CID 114250798

IUPAC6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(-n2c(=O)cc(Cl)[nH]c2=O)ccc1C
InChIInChI=1S/C13H13ClN2O2/c1-3-9-6-10(5-4-8(9)2)16-12(17)7-11(14)15-13(16)18/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyORPWXJRQTQZSKH-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.05
Rot. Bonds2

About 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione

6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione (PubChem CID 114250798) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
PubChem CID114250798
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione
SMILESCCc1cc(-n2c(=O)cc(Cl)[nH]c2=O)ccc1C
InChIInChI=1S/C13H13ClN2O2/c1-3-9-6-10(5-4-8(9)2)16-12(17)7-11(14)15-13(16)18/h4-7H,3H2,1-2H3,(H,15,18)
InChIKeyORPWXJRQTQZSKH-UHFFFAOYSA-N
XLogP2.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 107618042
6-chloro-3-(3,5-dichloro-4-fluorophenyl)-1H-pyrimidine-2,4-dione
CID 107581190
3-(1,3-benzothiazol-6-yl)-6-chloro-1H-pyrimidine-2,4-dione
CID 114002839
6-chloro-3-(2,4-dibromo-6-methylphenyl)-1H-pyrimidine-2,4-dione
CID 10620646
3-(3-chloro-4-methylphenyl)-4-methyl-1H-imidazol-2-one
CID 81445596
4-(3-ethyl-4-methylphenyl)-3-propyl-1H-1,2,4-triazole-5-thione
CID 114250415
1-(3-ethyl-4-methylphenyl)-4-methylpiperazine
CID 142939329
4-[2,4-dioxo-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-2-(2-ethyl-6-methylphenoxy)benzonitrile
CID 156716033
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
3-(2-bromo-3-chlorophenyl)-6-chloro-1H-pyrimidine-2,4-dione
CID 103482061
6-chloro-3-(4-fluoro-2-methoxyphenyl)-1H-pyrimidine-2,4-dione
CID 113404586

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione (CID 114250798) is 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione is CCc1cc(-n2c(=O)cc(Cl)[nH]c2=O)ccc1C.
What is the InChIKey of 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione?
The InChIKey is ORPWXJRQTQZSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-3-9-6-10(5-4-8(9)2)16-12(17)7-11(14)15-13(16)18/h4-7H,3H2,1-2H3,(H,15,18).
What are the key properties of 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione?
6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione has a molecular weight of 264.71 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-ethyl-4-methylphenyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 114250798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).