7-bromo-N-methylquinazolin-2-amine

C9H8BrN3 — CID 118107797

IUPAC7-bromo-N-methylquinazolin-2-amine
SMILESCNc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C9H8BrN3/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,1H3,(H,11,12,13)
InChIKeyLTQUQFXSGQOEJH-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.43
Rot. Bonds1

About 7-bromo-N-methylquinazolin-2-amine

7-bromo-N-methylquinazolin-2-amine (PubChem CID 118107797) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is 7-bromo-N-methylquinazolin-2-amine.

Molecular Properties

Compound Name7-bromo-N-methylquinazolin-2-amine
PubChem CID118107797
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name7-bromo-N-methylquinazolin-2-amine
SMILESCNc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C9H8BrN3/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,1H3,(H,11,12,13)
InChIKeyLTQUQFXSGQOEJH-UHFFFAOYSA-N
XLogP2.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methylquinazoline-2,7-diamine
CID 163482981
7-bromo-2-methylquinazoline
CID 22607818
1-(7-bromoquinazolin-2-yl)-3-propan-2-ylurea
CID 156770203
5-bromo-4-(6-bromonaphthalen-2-yl)oxy-N-methylpyrimidin-2-amine
CID 80865391
4-(5-bromo-2-chlorophenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 80879248
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80789337
4-(5-bromo-2-fluorophenoxy)-5-fluoro-N-methylpyrimidin-2-amine
CID 114677329
5-bromo-4-(4-bromo-2-fluorophenoxy)-N-methylpyrimidin-2-amine
CID 80881931
4-(4-bromo-2-propan-2-ylphenoxy)-5-chloro-N-methylpyrimidin-2-amine
CID 115403079
6-bromo-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 46942160
5-bromo-4-N-(3-bromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80761231
6-bromo-5-fluoro-N-methylquinazolin-2-amine
CID 165349587

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-methylquinazolin-2-amine?
The IUPAC name of 7-bromo-N-methylquinazolin-2-amine (CID 118107797) is 7-bromo-N-methylquinazolin-2-amine.
What is the SMILES notation for 7-bromo-N-methylquinazolin-2-amine?
The canonical SMILES for 7-bromo-N-methylquinazolin-2-amine is CNc1ncc2ccc(Br)cc2n1.
What is the InChIKey of 7-bromo-N-methylquinazolin-2-amine?
The InChIKey is LTQUQFXSGQOEJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c1-11-9-12-5-6-2-3-7(10)4-8(6)13-9/h2-5H,1H3,(H,11,12,13).
What are the key properties of 7-bromo-N-methylquinazolin-2-amine?
7-bromo-N-methylquinazolin-2-amine has a molecular weight of 238.09 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-methylquinazolin-2-amine is sourced from PubChem (CID 118107797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).