5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

C16H17N3O4 — CID 3162456

IUPAC5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O4/c1-18-14-13(15(21)19(2)16(18)22)10(8-12(20)17-14)9-6-4-5-7-11(9)23-3/h4-7,10H,8H2,1-3H3,(H,17,20)
InChIKeyLUPYKSNPCVYYFY-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.57
Rot. Bonds2

About 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione

5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (PubChem CID 3162456) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
PubChem CID3162456
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC Name5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione
SMILESCOc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C16H17N3O4/c1-18-14-13(15(21)19(2)16(18)22)10(8-12(20)17-14)9-6-4-5-7-11(9)23-3/h4-7,10H,8H2,1-3H3,(H,17,20)
InChIKeyLUPYKSNPCVYYFY-UHFFFAOYSA-N
XLogP0.57
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The IUPAC name of 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione (CID 3162456) is 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione.
What is the SMILES notation for 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The canonical SMILES for 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is COc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
The InChIKey is LUPYKSNPCVYYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-18-14-13(15(21)19(2)16(18)22)10(8-12(20)17-14)9-6-4-5-7-11(9)23-3/h4-7,10H,8H2,1-3H3,(H,17,20).
What are the key properties of 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione?
5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione has a molecular weight of 315.33 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-1,3-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidine-2,4,7-trione is sourced from PubChem (CID 3162456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).