1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

C19H15N3O2S — CID 39895811

IUPAC1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)cc(-c3cccs3)nc2n(C)c1=O
InChIInChI=1S/C19H15N3O2S/c1-21-17-16(18(23)22(2)19(21)24)13(12-7-4-3-5-8-12)11-14(20-17)15-9-6-10-25-15/h3-11H,1-2H3
InChIKeyUZTYXJRVKVOSDB-UHFFFAOYSA-N
MW349.42 g/mol
LogP3.03
Rot. Bonds2

About 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione

1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 39895811) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID39895811
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccccc3)cc(-c3cccs3)nc2n(C)c1=O
InChIInChI=1S/C19H15N3O2S/c1-21-17-16(18(23)22(2)19(21)24)13(12-7-4-3-5-8-12)11-14(20-17)15-9-6-10-25-15/h3-11H,1-2H3
InChIKeyUZTYXJRVKVOSDB-UHFFFAOYSA-N
XLogP3.03
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione (CID 39895811) is 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccccc3)cc(-c3cccs3)nc2n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is UZTYXJRVKVOSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-21-17-16(18(23)22(2)19(21)24)13(12-7-4-3-5-8-12)11-14(20-17)15-9-6-10-25-15/h3-11H,1-2H3.
What are the key properties of 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione?
1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 349.42 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-phenyl-7-thiophen-2-ylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39895811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).