7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine

C25H21N5S — CID 54218684

IUPAC7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(-c4cccs4)c3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C25H21N5S/c1-30(2)19-10-8-16(9-11-19)21-14-20(23-24(26)27-15-28-25(23)29-21)17-5-3-6-18(13-17)22-7-4-12-31-22/h3-15H,1-2H3,(H2,26,27,28,29)
InChIKeyQAZQBIRNIIUZMP-UHFFFAOYSA-N
MW423.55 g/mol
LogP5.74
Rot. Bonds4

About 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine

7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 54218684) has the molecular formula C25H21N5S and a molecular weight of 423.55 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
PubChem CID54218684
Molecular FormulaC25H21N5S
Molecular Weight423.55 g/mol
Exact Mass423.15
IUPAC Name7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(-c4cccs4)c3)c3c(N)ncnc3n2)cc1
InChIInChI=1S/C25H21N5S/c1-30(2)19-10-8-16(9-11-19)21-14-20(23-24(26)27-15-28-25(23)29-21)17-5-3-6-18(13-17)22-7-4-12-31-22/h3-15H,1-2H3,(H2,26,27,28,29)
InChIKeyQAZQBIRNIIUZMP-UHFFFAOYSA-N
XLogP5.74
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.55
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine (CID 54218684) is 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2cc(-c3cccc(-c4cccs4)c3)c3c(N)ncnc3n2)cc1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is QAZQBIRNIIUZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5S/c1-30(2)19-10-8-16(9-11-19)21-14-20(23-24(26)27-15-28-25(23)29-21)17-5-3-6-18(13-17)22-7-4-12-31-22/h3-15H,1-2H3,(H2,26,27,28,29).
What are the key properties of 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine?
7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 423.55 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-5-(3-thiophen-2-ylphenyl)pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54218684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).