4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine

C11H17N5 — CID 176524925

IUPAC4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine
SMILES[H]/N=C1\NC(N)=NC2C=CC(CNC)=C(C)C12
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyMJMWQSGFEMQXQP-UHFFFAOYSA-N
MW219.29 g/mol
LogP-0.03
Rot. Bonds2

About 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine

4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine (PubChem CID 176524925) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine.

Molecular Properties

Compound Name4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine
PubChem CID176524925
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine
SMILES[H]/N=C1\NC(N)=NC2C=CC(CNC)=C(C)C12
InChIInChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16)
InChIKeyMJMWQSGFEMQXQP-UHFFFAOYSA-N
XLogP-0.03
TPSA86.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine with MolForge

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Related Compounds

N-tert-butyl-2-(trifluoromethyl)-1,2,4a,8a-tetrahydroquinazolin-4-amine
CID 169976929
5-Methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 21336462
4-amino-5-methyl-4a,8a-dihydro-1H-quinazoline-2-thione
CID 89468371
2-(4-methylpentyl)-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89636915
2-ethyl-3a,9,9a,9b-tetrahydro-1H-perimidine
CID 89637067
(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
Methane;5-methyl-6-(methylaminomethyl)-4a,8a-dihydroquinazoline-2,4-diamine
CID 160132574
7-methyl-4a,8a-dihydro-3H-quinazolin-4-imine
CID 176540475

Frequently Asked Questions

What is the IUPAC name of 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine?
The IUPAC name of 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine (CID 176524925) is 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine.
What is the SMILES notation for 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine?
The canonical SMILES for 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine is [H]/N=C1\NC(N)=NC2C=CC(CNC)=C(C)C12.
What is the InChIKey of 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine?
The InChIKey is MJMWQSGFEMQXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-6-7(5-14-2)3-4-8-9(6)10(12)16-11(13)15-8/h3-4,8-9,14H,5H2,1-2H3,(H4,12,13,15,16).
What are the key properties of 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine?
4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine has a molecular weight of 219.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-5-methyl-6-(methylaminomethyl)-4a,8a-dihydro-3H-quinazolin-2-amine is sourced from PubChem (CID 176524925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).