4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

C16H16N4O2S — CID 58494205

IUPAC4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cc(C)cc(Nc2nc(SC)nc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C16H16N4O2S/c1-9-6-10(8-11(7-9)22-2)18-14-13-12(4-5-17-15(13)21)19-16(20-14)23-3/h4-8H,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyDXBNINZACJHTBF-UHFFFAOYSA-N
MW328.40 g/mol
LogP3.10
Rot. Bonds4

About 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one

4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (PubChem CID 58494205) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
PubChem CID58494205
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one
SMILESCOc1cc(C)cc(Nc2nc(SC)nc3cc[nH]c(=O)c23)c1
InChIInChI=1S/C16H16N4O2S/c1-9-6-10(8-11(7-9)22-2)18-14-13-12(4-5-17-15(13)21)19-16(20-14)23-3/h4-8H,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyDXBNINZACJHTBF-UHFFFAOYSA-N
XLogP3.10
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one (CID 58494205) is 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is COc1cc(C)cc(Nc2nc(SC)nc3cc[nH]c(=O)c23)c1.
What is the InChIKey of 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is DXBNINZACJHTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-9-6-10(8-11(7-9)22-2)18-14-13-12(4-5-17-15(13)21)19-16(20-14)23-3/h4-8H,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one?
4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 328.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-5-methylanilino)-2-methylsulfanyl-6H-pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 58494205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).