4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C18H20BrN7O — CID 5328340

IUPAC4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24)
InChIKeyFBSRQIPWINDALQ-UHFFFAOYSA-N
MW430.31 g/mol
LogP2.67
Rot. Bonds6

About 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328340) has the molecular formula C18H20BrN7O and a molecular weight of 430.31 g/mol. Its IUPAC name is 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328340
Molecular FormulaC18H20BrN7O
Molecular Weight430.31 g/mol
Exact Mass429.09
IUPAC Name4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESBrc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1
InChIInChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24)
InChIKeyFBSRQIPWINDALQ-UHFFFAOYSA-N
XLogP2.67
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-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)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328340) is 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is Brc1cccc(Nc2ncnc3cnc(NCCN4CCOCC4)nc23)c1.
What is the InChIKey of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is FBSRQIPWINDALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN7O/c19-13-2-1-3-14(10-13)24-17-16-15(22-12-23-17)11-21-18(25-16)20-4-5-26-6-8-27-9-7-26/h1-3,10-12H,4-9H2,(H,20,21,25)(H,22,23,24).
What are the key properties of 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 430.31 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromophenyl)-6-N-(2-morpholin-4-ylethyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).