5-methyl-4a,5-dihydroquinazoline

C9H10N2 — CID 143058984

IUPAC5-methyl-4a,5-dihydroquinazoline
SMILESCC1C=CC=C2N=CN=CC21
InChIInChI=1S/C9H10N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h2-8H,1H3
InChIKeyJSIGJJNABATKNZ-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.81
Rot. Bonds

About 5-methyl-4a,5-dihydroquinazoline

5-methyl-4a,5-dihydroquinazoline (PubChem CID 143058984) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 5-methyl-4a,5-dihydroquinazoline.

Molecular Properties

Compound Name5-methyl-4a,5-dihydroquinazoline
PubChem CID143058984
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name5-methyl-4a,5-dihydroquinazoline
SMILESCC1C=CC=C2N=CN=CC21
InChIInChI=1S/C9H10N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h2-8H,1H3
InChIKeyJSIGJJNABATKNZ-UHFFFAOYSA-N
XLogP1.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4a,5-dihydroquinazoline?
The IUPAC name of 5-methyl-4a,5-dihydroquinazoline (CID 143058984) is 5-methyl-4a,5-dihydroquinazoline.
What is the SMILES notation for 5-methyl-4a,5-dihydroquinazoline?
The canonical SMILES for 5-methyl-4a,5-dihydroquinazoline is CC1C=CC=C2N=CN=CC21.
What is the InChIKey of 5-methyl-4a,5-dihydroquinazoline?
The InChIKey is JSIGJJNABATKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-7-3-2-4-9-8(7)5-10-6-11-9/h2-8H,1H3.
What are the key properties of 5-methyl-4a,5-dihydroquinazoline?
5-methyl-4a,5-dihydroquinazoline has a molecular weight of 146.19 g/mol, XLogP of 1.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4a,5-dihydroquinazoline is sourced from PubChem (CID 143058984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).