N-methylquinazolin-5-amine

C9H9N3 — CID 149315955

IUPACN-methylquinazolin-5-amine
SMILESCNc1cccc2ncncc12
InChIInChI=1S/C9H9N3/c1-10-8-3-2-4-9-7(8)5-11-6-12-9/h2-6,10H,1H3
InChIKeyXZNAVTUIADDGHB-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.67
Rot. Bonds1

About N-methylquinazolin-5-amine

N-methylquinazolin-5-amine (PubChem CID 149315955) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-methylquinazolin-5-amine.

Molecular Properties

Compound NameN-methylquinazolin-5-amine
PubChem CID149315955
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC NameN-methylquinazolin-5-amine
SMILESCNc1cccc2ncncc12
InChIInChI=1S/C9H9N3/c1-10-8-3-2-4-9-7(8)5-11-6-12-9/h2-6,10H,1H3
InChIKeyXZNAVTUIADDGHB-UHFFFAOYSA-N
XLogP1.67
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohepta[d]pyrimidin-5-one
CID 166653681
quinazoline-5-carbaldehyde
CID 19919699
quinazolin-5-ylmethanamine
CID 131699542
5-N-methylquinoline-2,5-diamine
CID 59551884
N-methylisoquinolin-5-amine;hydrochloride
CID 135905265
5-[1-(4-chlorophenyl)ethoxy]quinazoline
CID 121364299
acetylene;5-N-methylpyrimidine-4,5-diamine
CID 143435475
N,1-dimethylisoquinolin-5-amine;N-methylisoquinolin-5-amine
CID 156839455
5-(1-naphthalen-1-ylethoxy)quinazoline
CID 90960598
6-methylpyrido[4,3-d]pyrimidin-5-one
CID 130723333
5-[1-(4-chlorophenyl)-2,2-dimethylpropoxy]quinazoline
CID 66924385
N-methyl-2,1,3-benzoselenadiazol-4-amine
CID 63091978

Frequently Asked Questions

What is the IUPAC name of N-methylquinazolin-5-amine?
The IUPAC name of N-methylquinazolin-5-amine (CID 149315955) is N-methylquinazolin-5-amine.
What is the SMILES notation for N-methylquinazolin-5-amine?
The canonical SMILES for N-methylquinazolin-5-amine is CNc1cccc2ncncc12.
What is the InChIKey of N-methylquinazolin-5-amine?
The InChIKey is XZNAVTUIADDGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-10-8-3-2-4-9-7(8)5-11-6-12-9/h2-6,10H,1H3.
What are the key properties of N-methylquinazolin-5-amine?
N-methylquinazolin-5-amine has a molecular weight of 159.19 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylquinazolin-5-amine is sourced from PubChem (CID 149315955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).