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

C12H20N2 — CID 91231787

IUPAC1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
SMILESCC.CN1C=[N+](C)C=C2[CH-]CCC=C21
InChIInChI=1S/C10H14N2.C2H6/c1-11-7-9-5-3-4-6-10(9)12(2)8-11;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyLHJTUCKDPSOYEB-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.39
Rot. Bonds

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

1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane (PubChem CID 91231787) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane.

Molecular Properties

Compound Name1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
PubChem CID91231787
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane
SMILESCC.CN1C=[N+](C)C=C2[CH-]CCC=C21
InChIInChI=1S/C10H14N2.C2H6/c1-11-7-9-5-3-4-6-10(9)12(2)8-11;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyLHJTUCKDPSOYEB-UHFFFAOYSA-N
XLogP2.39
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide
CID 88884589
6,7-dihydro-5H-quinazolin-1-ium 1-oxide
CID 123681549
N-ethyl-N-methyl-4-methylidene-5,6-dihydroquinazolin-1-amine
CID 123943305
1,8-dimethyl-8aH-quinazoline
CID 149269224
5-methyl-6-propan-2-yl-8H-pyrido[1,2-c]pyrimidine
CID 155404005
4-Ethyl-1-methyl-6-methylidene-5-prop-1-en-2-ylpyrimidine
CID 166689061
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-6,7-dihydro-5H-quinazolin-3-ium
CID 88884590
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142
1,3,4-trimethyl-5H-quinazolin-1-ium
CID 136139039

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane?
The IUPAC name of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane (CID 91231787) is 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane.
What is the SMILES notation for 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane?
The canonical SMILES for 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane is CC.CN1C=[N+](C)C=C2[CH-]CCC=C21.
What is the InChIKey of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane?
The InChIKey is LHJTUCKDPSOYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.C2H6/c1-11-7-9-5-3-4-6-10(9)12(2)8-11;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane?
1,3-dimethyl-6,7-dihydro-5H-quinazolin-3-ium-5-ide;ethane has a molecular weight of 192.31 g/mol, XLogP of 2.39, 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-5-ide;ethane is sourced from PubChem (CID 91231787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).