2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C23H21Br2N5 — CID 56675710

IUPAC2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESBrc1ccc(CCNc2nc(NCCc3ccc(Br)cc3)c3cccnc3n2)cc1
InChIInChI=1S/C23H21Br2N5/c24-18-7-3-16(4-8-18)11-14-27-22-20-2-1-13-26-21(20)29-23(30-22)28-15-12-17-5-9-19(25)10-6-17/h1-10,13H,11-12,14-15H2,(H2,26,27,28,29,30)
InChIKeyCNPBGJFBGSFYGJ-UHFFFAOYSA-N
MW527.26 g/mol
LogP5.86
Rot. Bonds8

About 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine

2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 56675710) has the molecular formula C23H21Br2N5 and a molecular weight of 527.26 g/mol. Its IUPAC name is 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID56675710
Molecular FormulaC23H21Br2N5
Molecular Weight527.26 g/mol
Exact Mass525.02
IUPAC Name2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESBrc1ccc(CCNc2nc(NCCc3ccc(Br)cc3)c3cccnc3n2)cc1
InChIInChI=1S/C23H21Br2N5/c24-18-7-3-16(4-8-18)11-14-27-22-20-2-1-13-26-21(20)29-23(30-22)28-15-12-17-5-9-19(25)10-6-17/h1-10,13H,11-12,14-15H2,(H2,26,27,28,29,30)
InChIKeyCNPBGJFBGSFYGJ-UHFFFAOYSA-N
XLogP5.86
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.26
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 56675710) is 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine is Brc1ccc(CCNc2nc(NCCc3ccc(Br)cc3)c3cccnc3n2)cc1.
What is the InChIKey of 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is CNPBGJFBGSFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Br2N5/c24-18-7-3-16(4-8-18)11-14-27-22-20-2-1-13-26-21(20)29-23(30-22)28-15-12-17-5-9-19(25)10-6-17/h1-10,13H,11-12,14-15H2,(H2,26,27,28,29,30).
What are the key properties of 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 527.26 g/mol, XLogP of 5.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis[2-(4-bromophenyl)ethyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 56675710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).