3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

C19H16N4O2S — CID 67862603

IUPAC3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3sccc3C)c2=O)nc1
InChIInChI=1S/C19H16N4O2S/c1-12-5-6-14(21-10-12)11-22-17(24)15-4-3-8-20-16(15)23(19(22)25)18-13(2)7-9-26-18/h3-10H,11H2,1-2H3
InChIKeyYPLZVYGILPJHKV-UHFFFAOYSA-N
MW364.43 g/mol
LogP2.67
Rot. Bonds3

About 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione

3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 67862603) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID67862603
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(Cn2c(=O)c3cccnc3n(-c3sccc3C)c2=O)nc1
InChIInChI=1S/C19H16N4O2S/c1-12-5-6-14(21-10-12)11-22-17(24)15-4-3-8-20-16(15)23(19(22)25)18-13(2)7-9-26-18/h3-10H,11H2,1-2H3
InChIKeyYPLZVYGILPJHKV-UHFFFAOYSA-N
XLogP2.67
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione (CID 67862603) is 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(Cn2c(=O)c3cccnc3n(-c3sccc3C)c2=O)nc1.
What is the InChIKey of 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is YPLZVYGILPJHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-12-5-6-14(21-10-12)11-22-17(24)15-4-3-8-20-16(15)23(19(22)25)18-13(2)7-9-26-18/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione?
3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 364.43 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-pyridinyl)methyl]-1-(3-methylthiophen-2-yl)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 67862603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).