7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

C16H17N3O3 — CID 4889672

IUPAC7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2=Nc3c(c(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C16H17N3O3/c1-18-14-12(15(20)19(2)16(18)21)8-9-13(17-14)10-4-6-11(22-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyFFRGLOQWXMSQAF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.16
Rot. Bonds2

About 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione

7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 4889672) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID4889672
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(C2=Nc3c(c(=O)n(C)c(=O)n3C)CC2)cc1
InChIInChI=1S/C16H17N3O3/c1-18-14-12(15(20)19(2)16(18)21)8-9-13(17-14)10-4-6-11(22-3)7-5-10/h4-7H,8-9H2,1-3H3
InChIKeyFFRGLOQWXMSQAF-UHFFFAOYSA-N
XLogP1.16
TPSA65.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione (CID 4889672) is 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(C2=Nc3c(c(=O)n(C)c(=O)n3C)CC2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is FFRGLOQWXMSQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-18-14-12(15(20)19(2)16(18)21)8-9-13(17-14)10-4-6-11(22-3)7-5-10/h4-7H,8-9H2,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione?
7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 299.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-1,3-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4889672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).