7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine

C15H14BrN5 — CID 15983856

IUPAC7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3ccccc3Br)ccc12
InChIInChI=1S/C15H14BrN5/c1-2-18-13-10-7-8-12(9-5-3-4-6-11(9)16)19-14(10)21-15(17)20-13/h3-8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyLIQUTMBJMNPVDW-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.47
Rot. Bonds3

About 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine

7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 15983856) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID15983856
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCCNc1nc(N)nc2nc(-c3ccccc3Br)ccc12
InChIInChI=1S/C15H14BrN5/c1-2-18-13-10-7-8-12(9-5-3-4-6-11(9)16)19-14(10)21-15(17)20-13/h3-8H,2H2,1H3,(H3,17,18,19,20,21)
InChIKeyLIQUTMBJMNPVDW-UHFFFAOYSA-N
XLogP3.47
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid
CID 15983855
4-N-ethyl-7-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidine-2,4-diamine
CID 70955682
7-[2-chloro-3-(iodomethyl)phenyl]-4-N-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 89386167
3-(2-bromophenyl)-N-ethyl-5,6-dimethylpyrazin-2-amine
CID 113324664
5-amino-1-(2-bromophenyl)-3-(ethylamino)pyrazole-4-carbonitrile
CID 102795895
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
5-(2-bromophenyl)-N-ethyl-1,3-thiazol-2-amine
CID 116812031
6-(2-bromophenyl)-N-ethyl-5-methoxypyrimidin-4-amine
CID 113324652
6-(2-bromophenyl)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 115503721
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 63868723
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66304800

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 15983856) is 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine is CCNc1nc(N)nc2nc(-c3ccccc3Br)ccc12.
What is the InChIKey of 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is LIQUTMBJMNPVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-2-18-13-10-7-8-12(9-5-3-4-6-11(9)16)19-14(10)21-15(17)20-13/h3-8H,2H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine?
7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 344.22 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bromophenyl)-4-N-ethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 15983856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).