4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine

C19H21BrN6O — CID 5328311

IUPAC4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESBrc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1
InChIInChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)
InChIKeyRHIKOEXNOGXDPV-UHFFFAOYSA-N
MW429.32 g/mol
LogP3.28
Rot. Bonds6

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

4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 5328311) has the molecular formula C19H21BrN6O and a molecular weight of 429.32 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine
PubChem CID5328311
Molecular FormulaC19H21BrN6O
Molecular Weight429.32 g/mol
Exact Mass428.10
IUPAC Name4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine
SMILESBrc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1
InChIInChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25)
InChIKeyRHIKOEXNOGXDPV-UHFFFAOYSA-N
XLogP3.28
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.32
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 5328311) is 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine is Brc1cccc(Nc2ncnc3cc(NCCN4CCOCC4)ncc23)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
The InChIKey is RHIKOEXNOGXDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN6O/c20-14-2-1-3-15(10-14)25-19-16-12-22-18(11-17(16)23-13-24-19)21-4-5-26-6-8-27-9-7-26/h1-3,10-13H,4-9H2,(H,21,22)(H,23,24,25).
What are the key properties of 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine?
4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 429.32 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-7-N-(2-morpholin-4-ylethyl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 5328311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).