5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

C19H16N4O2S — CID 70289464

IUPAC5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3cccs3)nc3ncnc(N)c23)c1
InChIInChI=1S/C19H16N4O2S/c1-24-12-6-11(7-13(8-12)25-2)14-9-15(16-4-3-5-26-16)23-19-17(14)18(20)21-10-22-19/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyOOHVQLWMUJKYIO-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.02
Rot. Bonds4

About 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine

5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (PubChem CID 70289464) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
PubChem CID70289464
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC Name5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3cccs3)nc3ncnc(N)c23)c1
InChIInChI=1S/C19H16N4O2S/c1-24-12-6-11(7-13(8-12)25-2)14-9-15(16-4-3-5-26-16)23-19-17(14)18(20)21-10-22-19/h3-10H,1-2H3,(H2,20,21,22,23)
InChIKeyOOHVQLWMUJKYIO-UHFFFAOYSA-N
XLogP4.02
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine (CID 70289464) is 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is COc1cc(OC)cc(-c2cc(-c3cccs3)nc3ncnc(N)c23)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OOHVQLWMUJKYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-24-12-6-11(7-13(8-12)25-2)14-9-15(16-4-3-5-26-16)23-19-17(14)18(20)21-10-22-19/h3-10H,1-2H3,(H2,20,21,22,23).
What are the key properties of 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine?
5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 364.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-7-thiophen-2-ylpyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70289464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).