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

C19H16BrN5S — CID 57320679

IUPAC5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)s1
InChIInChI=1S/C19H16BrN5S/c1-25(2)16-7-6-15(26-16)14-9-13(11-4-3-5-12(20)8-11)17-18(21)22-10-23-19(17)24-14/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyOZAPJSOUCFLOFL-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.83
Rot. Bonds3

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

5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 57320679) has the molecular formula C19H16BrN5S and a molecular weight of 426.34 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID57320679
Molecular FormulaC19H16BrN5S
Molecular Weight426.34 g/mol
Exact Mass425.03
IUPAC Name5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)s1
InChIInChI=1S/C19H16BrN5S/c1-25(2)16-7-6-15(26-16)14-9-13(11-4-3-5-12(20)8-11)17-18(21)22-10-23-19(17)24-14/h3-10H,1-2H3,(H2,21,22,23,24)
InChIKeyOZAPJSOUCFLOFL-UHFFFAOYSA-N
XLogP4.83
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine (CID 57320679) is 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)s1.
What is the InChIKey of 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is OZAPJSOUCFLOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN5S/c1-25(2)16-7-6-15(26-16)14-9-13(11-4-3-5-12(20)8-11)17-18(21)22-10-23-19(17)24-14/h3-10H,1-2H3,(H2,21,22,23,24).
What are the key properties of 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 426.34 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-7-[5-(dimethylamino)thiophen-2-yl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 57320679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).