5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione

C14H15ClN2O2 — CID 66424575

IUPAC5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2cc(Cl)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H15ClN2O2/c1-8-4-9(2)11(10(3)5-8)6-17-7-12(15)13(18)16-14(17)19/h4-5,7H,6H2,1-3H3,(H,16,18,19)
InChIKeyRUNAAPQMLROURU-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.16
Rot. Bonds2

About 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione

5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 66424575) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID66424575
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)c(Cn2cc(Cl)c(=O)[nH]c2=O)c(C)c1
InChIInChI=1S/C14H15ClN2O2/c1-8-4-9(2)11(10(3)5-8)6-17-7-12(15)13(18)16-14(17)19/h4-5,7H,6H2,1-3H3,(H,16,18,19)
InChIKeyRUNAAPQMLROURU-UHFFFAOYSA-N
XLogP2.16
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione (CID 66424575) is 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione is Cc1cc(C)c(Cn2cc(Cl)c(=O)[nH]c2=O)c(C)c1.
What is the InChIKey of 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RUNAAPQMLROURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-8-4-9(2)11(10(3)5-8)6-17-7-12(15)13(18)16-14(17)19/h4-5,7H,6H2,1-3H3,(H,16,18,19).
What are the key properties of 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione?
5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 278.74 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,4,6-trimethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 66424575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).