2,7-dimethylquinazoline;ethane

C12H16N2 — CID 142013019

IUPAC2,7-dimethylquinazoline;ethane
SMILESCC.Cc1ccc2cnc(C)nc2c1
InChIInChI=1S/C10H10N2.C2H6/c1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFYKSSHKRGMPRLJ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds

About 2,7-dimethylquinazoline;ethane

2,7-dimethylquinazoline;ethane (PubChem CID 142013019) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,7-dimethylquinazoline;ethane.

Molecular Properties

Compound Name2,7-dimethylquinazoline;ethane
PubChem CID142013019
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2,7-dimethylquinazoline;ethane
SMILESCC.Cc1ccc2cnc(C)nc2c1
InChIInChI=1S/C10H10N2.C2H6/c1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-2/h3-6H,1-2H3;1-2H3
InChIKeyFYKSSHKRGMPRLJ-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethylquinazoline;ethane?
The IUPAC name of 2,7-dimethylquinazoline;ethane (CID 142013019) is 2,7-dimethylquinazoline;ethane.
What is the SMILES notation for 2,7-dimethylquinazoline;ethane?
The canonical SMILES for 2,7-dimethylquinazoline;ethane is CC.Cc1ccc2cnc(C)nc2c1.
What is the InChIKey of 2,7-dimethylquinazoline;ethane?
The InChIKey is FYKSSHKRGMPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.C2H6/c1-7-3-4-9-6-11-8(2)12-10(9)5-7;1-2/h3-6H,1-2H3;1-2H3.
What are the key properties of 2,7-dimethylquinazoline;ethane?
2,7-dimethylquinazoline;ethane has a molecular weight of 188.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethylquinazoline;ethane is sourced from PubChem (CID 142013019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).