methane;2,4,8-trimethylquinazoline

C12H16N2 — CID 159057761

IUPACmethane;2,4,8-trimethylquinazoline
SMILESC.Cc1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C11H12N2.CH4/c1-7-5-4-6-10-8(2)12-9(3)13-11(7)10;/h4-6H,1-3H3;1H4
InChIKeyJYBPPPJEAZJTEW-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.19
Rot. Bonds

About methane;2,4,8-trimethylquinazoline

methane;2,4,8-trimethylquinazoline (PubChem CID 159057761) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is methane;2,4,8-trimethylquinazoline.

Molecular Properties

Compound Namemethane;2,4,8-trimethylquinazoline
PubChem CID159057761
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Namemethane;2,4,8-trimethylquinazoline
SMILESC.Cc1nc(C)c2cccc(C)c2n1
InChIInChI=1S/C11H12N2.CH4/c1-7-5-4-6-10-8(2)12-9(3)13-11(7)10;/h4-6H,1-3H3;1H4
InChIKeyJYBPPPJEAZJTEW-UHFFFAOYSA-N
XLogP3.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methane;2,4,8-trimethylquinazoline?
The IUPAC name of methane;2,4,8-trimethylquinazoline (CID 159057761) is methane;2,4,8-trimethylquinazoline.
What is the SMILES notation for methane;2,4,8-trimethylquinazoline?
The canonical SMILES for methane;2,4,8-trimethylquinazoline is C.Cc1nc(C)c2cccc(C)c2n1.
What is the InChIKey of methane;2,4,8-trimethylquinazoline?
The InChIKey is JYBPPPJEAZJTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.CH4/c1-7-5-4-6-10-8(2)12-9(3)13-11(7)10;/h4-6H,1-3H3;1H4.
What are the key properties of methane;2,4,8-trimethylquinazoline?
methane;2,4,8-trimethylquinazoline has a molecular weight of 188.27 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,8-trimethylquinazoline is sourced from PubChem (CID 159057761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).