6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

C15H18BrN3O — CID 133271711

IUPAC6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyRRGBGJOCGIWUAN-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.40
Rot. Bonds3

About 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine

6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (PubChem CID 133271711) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.

Molecular Properties

Compound Name6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
PubChem CID133271711
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
SMILESCN(CC1CCCCO1)c1ncnc2ccc(Br)cc12
InChIInChI=1S/C15H18BrN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyRRGBGJOCGIWUAN-UHFFFAOYSA-N
XLogP3.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine 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-fluoro-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine
CID 133271712
6-bromo-4-N-methyl-4-N-(oxan-2-ylmethyl)quinoline-3,4-diamine
CID 61431679
4-bromo-2-[methyl(oxan-2-ylmethyl)amino]benzonitrile
CID 114901540
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 82971512
3-[(6-bromoquinazolin-4-yl)-methylamino]propanenitrile
CID 133370502
N-methyl-N-(oxan-2-ylmethyl)-7H-purin-6-amine
CID 47357925
6-bromo-N-(cyclopropylmethyl)-N-ethylquinazolin-4-amine
CID 86946189
3-(bromomethyl)-N-methyl-N-(oxan-2-ylmethyl)quinolin-2-amine
CID 107081248
2-(1-aminoethyl)-4-bromo-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 82972442
6-chloro-N-methyl-5-nitro-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 62102507
5-bromo-N-methyl-N-(oxan-2-ylmethyl)-2-[(propan-2-ylamino)methyl]aniline
CID 61432414
6-N-ethyl-4-N-methyl-4-N-(oxan-2-ylmethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80780441

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The IUPAC name of 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine (CID 133271711) is 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine.
What is the SMILES notation for 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The canonical SMILES for 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is CN(CC1CCCCO1)c1ncnc2ccc(Br)cc12.
What is the InChIKey of 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
The InChIKey is RRGBGJOCGIWUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-19(9-12-4-2-3-7-20-12)15-13-8-11(16)5-6-14(13)17-10-18-15/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine?
6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-methyl-N-(oxan-2-ylmethyl)quinazolin-4-amine is sourced from PubChem (CID 133271711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).