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

C19H19N3O2 — CID 11493504

IUPAC3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)ccn(Cc3ccncc3)c2=O)c1
InChIInChI=1S/C19H19N3O2/c1-14-9-15(2)11-17(10-14)13-22-18(23)5-8-21(19(22)24)12-16-3-6-20-7-4-16/h3-11H,12-13H2,1-2H3
InChIKeyWSNWATVTPBUTOD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.12
Rot. Bonds4

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

3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 11493504) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID11493504
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCc1cc(C)cc(Cn2c(=O)ccn(Cc3ccncc3)c2=O)c1
InChIInChI=1S/C19H19N3O2/c1-14-9-15(2)11-17(10-14)13-22-18(23)5-8-21(19(22)24)12-16-3-6-20-7-4-16/h3-11H,12-13H2,1-2H3
InChIKeyWSNWATVTPBUTOD-UHFFFAOYSA-N
XLogP2.12
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (CID 11493504) is 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is Cc1cc(C)cc(Cn2c(=O)ccn(Cc3ccncc3)c2=O)c1.
What is the InChIKey of 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is WSNWATVTPBUTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-9-15(2)11-17(10-14)13-22-18(23)5-8-21(19(22)24)12-16-3-6-20-7-4-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 321.38 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylphenyl)methyl]-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 11493504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).