1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

C20H19ClN2O2 — CID 11624569

IUPAC1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)ccn(Cc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)6-7-22(20(23)25)12-16-4-3-5-18(21)11-16/h3-11H,12-13H2,1-2H3
InChIKeyUHMKWVZNKIFKSE-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.38
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione

1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 11624569) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID11624569
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)ccn(Cc3cccc(Cl)c3)c2=O)c1
InChIInChI=1S/C20H19ClN2O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)6-7-22(20(23)25)12-16-4-3-5-18(21)11-16/h3-11H,12-13H2,1-2H3
InChIKeyUHMKWVZNKIFKSE-UHFFFAOYSA-N
XLogP3.38
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione (CID 11624569) is 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is Cc1cc(C)cc(Cn2c(=O)ccn(Cc3cccc(Cl)c3)c2=O)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is UHMKWVZNKIFKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-14-8-15(2)10-17(9-14)13-23-19(24)6-7-22(20(23)25)12-16-4-3-5-18(21)11-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione?
1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 354.84 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-3-[(3,5-dimethylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11624569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).