7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine

C9H11N3 — CID 176540475

IUPAC7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine
SMILES[H]/N=C1\NC=NC2C=C(C)C=CC12
InChIInChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5,7-8H,1H3,(H2,10,11,12)
InChIKeyFZDQDESAHLOHIO-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.10
Rot. Bonds

About 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine

7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine (PubChem CID 176540475) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine.

Molecular Properties

Compound Name7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine
PubChem CID176540475
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine
SMILES[H]/N=C1\NC=NC2C=C(C)C=CC12
InChIInChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5,7-8H,1H3,(H2,10,11,12)
InChIKeyFZDQDESAHLOHIO-UHFFFAOYSA-N
XLogP1.10
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N~1~-(7-chloro-4a,8a-dihydro-4-quinazolinyl)-N~3~,N~3~-dimethyl-1,3-propanediamine
CID 135498315
Tetrahydro-1h-pyrrolo[3,4-c]quinoline-1,3(2h)-diimine
CID 132278747
1,4,4a,8a-Tetrahydroquinazoline
CID 17911504
5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
N,N-dimethyl-3,4,4a,8a-tetrahydroquinazolin-4-amine
CID 53695724
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
(8aS)-1,4,4a,8a-tetrahydroquinazoline
CID 91496825
(4S)-4,6-dimethyl-3,4,4a,8a-tetrahydroquinazoline
CID 91805248
N-[amino(cyclohexa-2,4-dien-1-yl)methyl]-N'-(1-cyclohexa-1,5-dien-1-ylethyl)ethanimidamide
CID 123338286
8-Methyl-1,4,7,8-tetrahydroquinazoline
CID 135245104
N-ethyl-5,6-didehydro-4a,8a-dihydro-3H-quinazolin-4-imine
CID 137119418
Methane;5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 160132574

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine?
The IUPAC name of 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine (CID 176540475) is 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine.
What is the SMILES notation for 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine?
The canonical SMILES for 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine is [H]/N=C1\NC=NC2C=C(C)C=CC12.
What is the InChIKey of 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine?
The InChIKey is FZDQDESAHLOHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-6-2-3-7-8(4-6)11-5-12-9(7)10/h2-5,7-8H,1H3,(H2,10,11,12).
What are the key properties of 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine?
7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine has a molecular weight of 161.21 g/mol, XLogP of 1.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine is sourced from PubChem (CID 176540475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).