5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

C20H17BrN6 — CID 10895093

IUPAC5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1
InChIInChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
InChIKeyZKMZZIXDNQFKGJ-UHFFFAOYSA-N
MW421.30 g/mol
LogP4.16
Rot. Bonds3

About 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine

5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 10895093) has the molecular formula C20H17BrN6 and a molecular weight of 421.30 g/mol. Its IUPAC name is 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID10895093
Molecular FormulaC20H17BrN6
Molecular Weight421.30 g/mol
Exact Mass420.07
IUPAC Name5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1
InChIInChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26)
InChIKeyZKMZZIXDNQFKGJ-UHFFFAOYSA-N
XLogP4.16
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.30
LogP ≤ 54.16
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-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 10895093) is 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2cc(-c3cccc(Br)c3)c3c(N)ncnc3n2)cn1.
What is the InChIKey of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is ZKMZZIXDNQFKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN6/c1-27(2)17-7-6-13(10-23-17)16-9-15(12-4-3-5-14(21)8-12)18-19(22)24-11-25-20(18)26-16/h3-11H,1-2H3,(H2,22,24,25,26).
What are the key properties of 5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(3-bromophenyl)-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 421.30 g/mol, XLogP of 4.16, 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-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10895093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).