N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine

C15H15BrN6 — CID 133277817

IUPACN-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESBrc1ccc2ncnc(NCCCNc3ncccn3)c2c1
InChIInChI=1S/C15H15BrN6/c16-11-3-4-13-12(9-11)14(22-10-21-13)17-5-1-6-18-15-19-7-2-8-20-15/h2-4,7-10H,1,5-6H2,(H,17,21,22)(H,18,19,20)
InChIKeyNBQKSPAUXGACES-UHFFFAOYSA-N
MW359.23 g/mol
LogP3.10
Rot. Bonds6

About N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine

N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine (PubChem CID 133277817) has the molecular formula C15H15BrN6 and a molecular weight of 359.23 g/mol. Its IUPAC name is N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
PubChem CID133277817
Molecular FormulaC15H15BrN6
Molecular Weight359.23 g/mol
Exact Mass358.05
IUPAC NameN-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine
SMILESBrc1ccc2ncnc(NCCCNc3ncccn3)c2c1
InChIInChI=1S/C15H15BrN6/c16-11-3-4-13-12(9-11)14(22-10-21-13)17-5-1-6-18-15-19-7-2-8-20-15/h2-4,7-10H,1,5-6H2,(H,17,21,22)(H,18,19,20)
InChIKeyNBQKSPAUXGACES-UHFFFAOYSA-N
XLogP3.10
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.23
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine with MolForge

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

Launch Full Analysis

Related Compounds

6-bromo-N-(pyridin-2-ylmethyl)quinazolin-4-amine
CID 21002502
6-bromo-N-[4-(1,2,4-triazol-4-yl)butyl]quinazolin-4-amine
CID 133324802
6-bromo-N-(4-pyrrolidin-1-ium-1-ylbutyl)quinazolin-4-amine
CID 2061539
6-bromo-N-(3-cyclopentyloxypropyl)quinazolin-4-amine
CID 86873464
2-[4-[3-[(6-bromoquinazolin-4-yl)amino]propyl]piperazin-1-yl]ethanol
CID 21002522
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
6-bromo-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]quinazolin-4-amine
CID 133459268
2-[(6-bromoquinazolin-4-yl)amino]acetic acid;hydrochloride
CID 18590558
6-bromo-N-[2-(cyclopropylmethoxy)ethyl]quinazolin-4-amine
CID 86900440
6-bromo-N-(2-morpholin-4-ylethyl)quinazolin-4-amine
CID 728957
6-bromo-N-[2-(4-propan-2-ylphenyl)ethyl]quinazolin-4-amine
CID 67619024
6-bromo-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327454

Frequently Asked Questions

What is the IUPAC name of N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The IUPAC name of N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine (CID 133277817) is N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine is Brc1ccc2ncnc(NCCCNc3ncccn3)c2c1.
What is the InChIKey of N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
The InChIKey is NBQKSPAUXGACES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6/c16-11-3-4-13-12(9-11)14(22-10-21-13)17-5-1-6-18-15-19-7-2-8-20-15/h2-4,7-10H,1,5-6H2,(H,17,21,22)(H,18,19,20).
What are the key properties of N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine?
N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine has a molecular weight of 359.23 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromoquinazolin-4-yl)-N'-pyrimidin-2-ylpropane-1,3-diamine is sourced from PubChem (CID 133277817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).