2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine

C9H13N3 — CID 59862513

IUPAC2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine
SMILESC=C1N=C(N)C2=C(CCCC2)N1
InChIInChI=1S/C9H13N3/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h11H,1-5H2,(H2,10,12)
InChIKeyUYXUQTKIYSVARL-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.25
Rot. Bonds

About 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine

2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine (PubChem CID 59862513) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine.

Molecular Properties

Compound Name2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine
PubChem CID59862513
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine
SMILESC=C1N=C(N)C2=C(CCCC2)N1
InChIInChI=1S/C9H13N3/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h11H,1-5H2,(H2,10,12)
InChIKeyUYXUQTKIYSVARL-UHFFFAOYSA-N
XLogP1.25
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine?
The IUPAC name of 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine (CID 59862513) is 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine.
What is the SMILES notation for 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine?
The canonical SMILES for 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine is C=C1N=C(N)C2=C(CCCC2)N1.
What is the InChIKey of 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine?
The InChIKey is UYXUQTKIYSVARL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h11H,1-5H2,(H2,10,12).
What are the key properties of 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine?
2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-amine is sourced from PubChem (CID 59862513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).