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

C21H19BrN6S — CID 11190539

IUPAC5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2C2CC2)cn1
InChIInChI=1S/C21H19BrN6S/c1-28(2)15-6-5-12(8-24-15)19-16(11-3-4-11)17(14-7-13(22)9-29-14)18-20(23)25-10-26-21(18)27-19/h5-11H,3-4H2,1-2H3,(H2,23,25,26,27)
InChIKeyVLNWWFUSUIJISD-UHFFFAOYSA-N
MW467.40 g/mol
LogP5.10
Rot. Bonds4

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

5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 11190539) has the molecular formula C21H19BrN6S and a molecular weight of 467.40 g/mol. Its IUPAC name is 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID11190539
Molecular FormulaC21H19BrN6S
Molecular Weight467.40 g/mol
Exact Mass466.06
IUPAC Name5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2C2CC2)cn1
InChIInChI=1S/C21H19BrN6S/c1-28(2)15-6-5-12(8-24-15)19-16(11-3-4-11)17(14-7-13(22)9-29-14)18-20(23)25-10-26-21(18)27-19/h5-11H,3-4H2,1-2H3,(H2,23,25,26,27)
InChIKeyVLNWWFUSUIJISD-UHFFFAOYSA-N
XLogP5.10
TPSA80.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

5,6-Diphenyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11234357
N~4~,N~4~-Bis[(Pyridin-2-Yl)methyl]-6-(Thiophen-3-Yl)pyrimidine-2,4-Diamine
CID 124220259
N-methyl-2-pyridin-3-yl-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2475524
2-(Pyridin-3-yl)-N-(thiophen-2-ylmethyl)quinazolin-4-amine
CID 2474854
7-Thiophen-3-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9880031
6-Butyl-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9900478
7-Thiophen-2-yl-6-p-tolyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 9966768
6-(3-Bromo-benzyl)-7-thiophen-2-yl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10157625
N1-(7-(thiophen-2-yl)-1,6-naphthyridin-5-yl)propane-1,3-diamine
CID 10286183
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10895093
5-(3-Bromo-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-pentyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11306409
5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine (CID 11190539) is 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is CN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2C2CC2)cn1.
What is the InChIKey of 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is VLNWWFUSUIJISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN6S/c1-28(2)15-6-5-12(8-24-15)19-16(11-3-4-11)17(14-7-13(22)9-29-14)18-20(23)25-10-26-21(18)27-19/h5-11H,3-4H2,1-2H3,(H2,23,25,26,27).
What are the key properties of 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine?
5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 467.40 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromothiophen-2-yl)-6-cyclopropyl-7-[6-(dimethylamino)-3-pyridinyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11190539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).