3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C15H13N3O3 — CID 22449821

IUPAC3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ncccc3c2=O)cc1
InChIInChI=1S/C15H13N3O3/c1-21-11-6-4-10(5-7-11)9-18-14(19)12-3-2-8-16-13(12)17-15(18)20/h2-8H,9H2,1H3,(H,16,17,20)
InChIKeyCTFNUHAOXQQQLP-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.14
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione

3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 22449821) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID22449821
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)[nH]c3ncccc3c2=O)cc1
InChIInChI=1S/C15H13N3O3/c1-21-11-6-4-10(5-7-11)9-18-14(19)12-3-2-8-16-13(12)17-15(18)20/h2-8H,9H2,1H3,(H,16,17,20)
InChIKeyCTFNUHAOXQQQLP-UHFFFAOYSA-N
XLogP1.14
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 22449821) is 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)[nH]c3ncccc3c2=O)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CTFNUHAOXQQQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-11-6-4-10(5-7-11)9-18-14(19)12-3-2-8-16-13(12)17-15(18)20/h2-8H,9H2,1H3,(H,16,17,20).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 283.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 22449821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).