6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione

C14H15ClN2O2 — CID 113404223

IUPAC6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1CCn1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-9-5-3-4-6-11(9)7-8-17-13(18)10(2)12(15)16-14(17)19/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyJRNZPBRGRRPYCU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.05
Rot. Bonds3

About 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione

6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 113404223) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID113404223
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1CCn1c(=O)[nH]c(Cl)c(C)c1=O
InChIInChI=1S/C14H15ClN2O2/c1-9-5-3-4-6-11(9)7-8-17-13(18)10(2)12(15)16-14(17)19/h3-6H,7-8H2,1-2H3,(H,16,19)
InChIKeyJRNZPBRGRRPYCU-UHFFFAOYSA-N
XLogP2.05
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione (CID 113404223) is 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione is Cc1ccccc1CCn1c(=O)[nH]c(Cl)c(C)c1=O.
What is the InChIKey of 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is JRNZPBRGRRPYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-9-5-3-4-6-11(9)7-8-17-13(18)10(2)12(15)16-14(17)19/h3-6H,7-8H2,1-2H3,(H,16,19).
What are the key properties of 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-3-[2-(2-methylphenyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).