3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine

C12H14BrN3 — CID 84811801

IUPAC3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2cccc(Br)c12
InChIInChI=1S/C12H14BrN3/c1-8-12-9(13)4-2-5-10(12)16-11(15-8)6-3-7-14/h2,4-5H,3,6-7,14H2,1H3
InChIKeyFAHRTNFOOGIBHG-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.59
Rot. Bonds3

About 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine

3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine (PubChem CID 84811801) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
PubChem CID84811801
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine
SMILESCc1nc(CCCN)nc2cccc(Br)c12
InChIInChI=1S/C12H14BrN3/c1-8-12-9(13)4-2-5-10(12)16-11(15-8)6-3-7-14/h2,4-5H,3,6-7,14H2,1H3
InChIKeyFAHRTNFOOGIBHG-UHFFFAOYSA-N
XLogP2.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-4-methylquinazolin-2-yl)propanoic acid
CID 84815402
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803
5-bromo-2-methylquinazolin-4-amine
CID 133060351
(5-fluoro-4-methylquinazolin-2-yl)methanol
CID 177177290
3-[4-(3-bromophenyl)-6-methylpyrimidin-2-yl]propan-1-amine
CID 116892905
3-[4,6-dimethyl-2-[(2-methylphenyl)methyl]pyrimidin-5-yl]propan-1-amine
CID 62744192
2-(4-bromo-3-chloroindazol-2-yl)ethanamine
CID 84730235
3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404148
3-[1-[(2-bromophenyl)methyl]-5-methylpyrazol-4-yl]propan-1-amine
CID 63276495
3-(4,6-dimethyl-2-propylpyrimidin-5-yl)propan-1-amine
CID 62745596
2-(4-bromo-2H-indazol-3-yl)ethanamine
CID 76846274
2-[2-(2-bromophenyl)ethyl]-4,6-dimethylpyrimidine
CID 82489775

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The IUPAC name of 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine (CID 84811801) is 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The canonical SMILES for 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine is Cc1nc(CCCN)nc2cccc(Br)c12.
What is the InChIKey of 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine?
The InChIKey is FAHRTNFOOGIBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-8-12-9(13)4-2-5-10(12)16-11(15-8)6-3-7-14/h2,4-5H,3,6-7,14H2,1H3.
What are the key properties of 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine?
3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine has a molecular weight of 280.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-methylquinazolin-2-yl)propan-1-amine is sourced from PubChem (CID 84811801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).