1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium

C10H15N2+ — CID 88884590

IUPAC1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium
SMILESCN1C=[N+](C)C=C2CCCC=C21
InChIInChI=1S/C10H15N2/c1-11-7-9-5-3-4-6-10(9)12(2)8-11/h6-8H,3-5H2,1-2H3/q+1
InChIKeyDYAQPAVZQKDBOB-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.55
Rot. Bonds

About 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium

1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium (PubChem CID 88884590) has the molecular formula C10H15N2+ and a molecular weight of 163.24 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium
PubChem CID88884590
Molecular FormulaC10H15N2+
Molecular Weight163.24 g/mol
Exact Mass163.12
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium
SMILESCN1C=[N+](C)C=C2CCCC=C21
InChIInChI=1S/C10H15N2/c1-11-7-9-5-3-4-6-10(9)12(2)8-11/h6-8H,3-5H2,1-2H3/q+1
InChIKeyDYAQPAVZQKDBOB-UHFFFAOYSA-N
XLogP1.55
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1,5,6,7-Tetrahydroquinazolin-8-amine
CID 67606513
3-methyl-5,6,7,8-tetrahydro-4H-quinazoline
CID 68330570
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide
CID 88884589
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
CID 91231787
6,7-dihydro-5H-quinazolin-1-ium 1-oxide
CID 123681549
N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine
CID 123943305
1-methyl-8aH-quinazoline
CID 145507126
1,8-dimethyl-8aH-quinazoline
CID 149269224
1,5,6,7-Tetrahydroquinazolin-3-ium
CID 173071778
(3E)-3-(3-methyl-4H-pyrimidin-5-yl)penta-1,3-dien-2-amine
CID 174246762
1,4-Dimethyl-5-methylidenepyrido[2,3-d]pyrimidine
CID 23541594
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium (CID 88884590) is 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium is CN1C=[N+](C)C=C2CCCC=C21.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium?
The InChIKey is DYAQPAVZQKDBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2/c1-11-7-9-5-3-4-6-10(9)12(2)8-11/h6-8H,3-5H2,1-2H3/q+1.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium?
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium has a molecular weight of 163.24 g/mol, XLogP of 1.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium is sourced from PubChem (CID 88884590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).