5,6,7,8-tetrahydroquinazolin-2-ylmethanamine

C9H13N3 — CID 55265501

IUPAC5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
SMILESNCc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H13N3/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h6H,1-5,10H2
InChIKeyFCULKWIHCIQADI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.81
Rot. Bonds1

About 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine

5,6,7,8-tetrahydroquinazolin-2-ylmethanamine (PubChem CID 55265501) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine.

Molecular Properties

Compound Name5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
PubChem CID55265501
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5,6,7,8-tetrahydroquinazolin-2-ylmethanamine
SMILESNCc1ncc2c(n1)CCCC2
InChIInChI=1S/C9H13N3/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h6H,1-5,10H2
InChIKeyFCULKWIHCIQADI-UHFFFAOYSA-N
XLogP0.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine?
The IUPAC name of 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine (CID 55265501) is 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine.
What is the SMILES notation for 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine?
The canonical SMILES for 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine is NCc1ncc2c(n1)CCCC2.
What is the InChIKey of 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine?
The InChIKey is FCULKWIHCIQADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c10-5-9-11-6-7-3-1-2-4-8(7)12-9/h6H,1-5,10H2.
What are the key properties of 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine?
5,6,7,8-tetrahydroquinazolin-2-ylmethanamine has a molecular weight of 163.22 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydroquinazolin-2-ylmethanamine is sourced from PubChem (CID 55265501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).