3-methylquinazolin-2-imine

C9H9N3 — CID 171383925

IUPAC3-methylquinazolin-2-imine
SMILES[H]/N=c1\nc2ccccc2cn1C
InChIInChI=1S/C9H9N3/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,10H,1H3/b10-9+
InChIKeyMRTKNXVLFPFMNO-MDZDMXLPSA-N
MW159.19 g/mol
LogP1.05
Rot. Bonds

About 3-methylquinazolin-2-imine

3-methylquinazolin-2-imine (PubChem CID 171383925) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 3-methylquinazolin-2-imine.

Molecular Properties

Compound Name3-methylquinazolin-2-imine
PubChem CID171383925
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name3-methylquinazolin-2-imine
SMILES[H]/N=c1\nc2ccccc2cn1C
InChIInChI=1S/C9H9N3/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,10H,1H3/b10-9+
InChIKeyMRTKNXVLFPFMNO-MDZDMXLPSA-N
XLogP1.05
TPSA41.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
2-fluoro-3-methyl-2H-quinazoline
CID 150705953
2-fluoro-3,6-dimethyl-2H-quinazoline
CID 151270095
5-fluoro-3-methyl-2H-quinazolin-6-amine
CID 175890645
1,3,5-Triazino[2,1-b]quinazoline
CID 139215807
Quinazoline-3-carbothioamide
CID 172432235
2H-pyrimido[2,1-b]quinazoline
CID 23336415
2,3-dimethyl-2H-quinazoline
CID 23503296
3-Hydroxyquinazolin-2-imine
CID 67982447
1,4-Benzodiazepine-4-carboximidamide
CID 69726923
2H-quinazoline-3-carbonitrile
CID 87886653

Frequently Asked Questions

What is the IUPAC name of 3-methylquinazolin-2-imine?
The IUPAC name of 3-methylquinazolin-2-imine (CID 171383925) is 3-methylquinazolin-2-imine.
What is the SMILES notation for 3-methylquinazolin-2-imine?
The canonical SMILES for 3-methylquinazolin-2-imine is [H]/N=c1\nc2ccccc2cn1C.
What is the InChIKey of 3-methylquinazolin-2-imine?
The InChIKey is MRTKNXVLFPFMNO-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H9N3/c1-12-6-7-4-2-3-5-8(7)11-9(12)10/h2-6,10H,1H3/b10-9+.
What are the key properties of 3-methylquinazolin-2-imine?
3-methylquinazolin-2-imine has a molecular weight of 159.19 g/mol, XLogP of 1.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylquinazolin-2-imine is sourced from PubChem (CID 171383925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).