8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine

C14H18BrN3O — CID 110431549

IUPAC8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
SMILESCC(C)OCCCNc1ncnc2c(Br)cccc12
InChIInChI=1S/C14H18BrN3O/c1-10(2)19-8-4-7-16-14-11-5-3-6-12(15)13(11)17-9-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyNMWIETZYWVTEOV-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.62
Rot. Bonds6

About 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine

8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine (PubChem CID 110431549) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
PubChem CID110431549
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine
SMILESCC(C)OCCCNc1ncnc2c(Br)cccc12
InChIInChI=1S/C14H18BrN3O/c1-10(2)19-8-4-7-16-14-11-5-3-6-12(15)13(11)17-9-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18)
InChIKeyNMWIETZYWVTEOV-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-bromo-N-(2-methoxyethyl)quinazolin-4-amine
CID 110431527
6-methyl-N-(3-propan-2-yloxypropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430251
5-bromo-6-N-ethyl-4-N-(4-propan-2-yloxybutyl)pyrimidine-4,6-diamine
CID 106014624
propan-2-yl 4-[(8-methylquinazolin-4-yl)amino]butanoate
CID 133473380
7-cyclopropyl-N-(3-propan-2-yloxypropyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 167928357
5-methyl-4-N-(4-propan-2-yloxybutyl)-6-N-propylpyrimidine-4,6-diamine
CID 106014837
2-[(8-bromoquinazolin-4-yl)amino]butan-1-ol
CID 110431564
4-N-(2-propan-2-yloxyethyl)quinazoline-4,7-diamine
CID 113449872
8-bromo-N-(4-ethoxyphenyl)quinazolin-4-amine
CID 110434524
6-hydrazinyl-5-methoxy-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104767453
6-(2-methoxyethoxy)-4-N-(3-propan-2-yloxypropyl)pyrimidine-4,5-diamine
CID 82455281
7-methyl-N-(2-propan-2-yloxyethyl)thieno[3,2-d]pyrimidin-4-amine
CID 102686662

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine?
The IUPAC name of 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine (CID 110431549) is 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine is CC(C)OCCCNc1ncnc2c(Br)cccc12.
What is the InChIKey of 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine?
The InChIKey is NMWIETZYWVTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-10(2)19-8-4-7-16-14-11-5-3-6-12(15)13(11)17-9-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H,16,17,18).
What are the key properties of 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine?
8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine has a molecular weight of 324.22 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(3-propan-2-yloxypropyl)quinazolin-4-amine is sourced from PubChem (CID 110431549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).