8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine

C14H17BrN4O — CID 95160600

IUPAC8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine
SMILESCN1CCO[C@@H](CNc2ncnc3c(Br)cccc23)C1
InChIInChI=1S/C14H17BrN4O/c1-19-5-6-20-10(8-19)7-16-14-11-3-2-4-12(15)13(11)17-9-18-14/h2-4,9-10H,5-8H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyFXWIGDGRDGEXAC-JTQLQIEISA-N
MW337.22 g/mol
LogP2.13
Rot. Bonds3

About 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine

8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine (PubChem CID 95160600) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine.

Molecular Properties

Compound Name8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine
PubChem CID95160600
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine
SMILESCN1CCO[C@@H](CNc2ncnc3c(Br)cccc23)C1
InChIInChI=1S/C14H17BrN4O/c1-19-5-6-20-10(8-19)7-16-14-11-3-2-4-12(15)13(11)17-9-18-14/h2-4,9-10H,5-8H2,1H3,(H,16,17,18)/t10-/m0/s1
InChIKeyFXWIGDGRDGEXAC-JTQLQIEISA-N
XLogP2.13
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-N-[[(3R)-oxolan-3-yl]methyl]quinazolin-4-amine
CID 94415325
6-hydrazinyl-5-methyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-4-amine
CID 80922854
6-bromo-N-[(4-methylmorpholin-2-yl)methyl]pyridin-2-amine
CID 79070964
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
6-N-methyl-4-N-[(4-methylmorpholin-2-yl)methyl]pyrimidine-4,6-diamine
CID 80850810
7-methoxy-N-[(4-methylmorpholin-2-yl)methyl]isoquinolin-1-amine
CID 106539026
N-[(4-methylmorpholin-2-yl)methyl]-3-piperidin-1-ylsulfonylpyridin-2-amine
CID 127297981
(1R)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383657
(1S)-1-(2-bromophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 81383986
N-[(4-methylmorpholin-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133280984
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370
N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine?
The IUPAC name of 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine (CID 95160600) is 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine.
What is the SMILES notation for 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine?
The canonical SMILES for 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine is CN1CCO[C@@H](CNc2ncnc3c(Br)cccc23)C1.
What is the InChIKey of 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine?
The InChIKey is FXWIGDGRDGEXAC-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-19-5-6-20-10(8-19)7-16-14-11-3-2-4-12(15)13(11)17-9-18-14/h2-4,9-10H,5-8H2,1H3,(H,16,17,18)/t10-/m0/s1.
What are the key properties of 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine?
8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine has a molecular weight of 337.22 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[[(2S)-4-methylmorpholin-2-yl]methyl]quinazolin-4-amine is sourced from PubChem (CID 95160600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).