2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine

C9H13N3O — CID 130614270

IUPAC2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCOc1ncc2c(n1)CCC(N)C2
InChIInChI=1S/C9H13N3O/c1-13-9-11-5-6-4-7(10)2-3-8(6)12-9/h5,7H,2-4,10H2,1H3
InChIKeyGXZQZHOCZBYEMX-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.30
Rot. Bonds1

About 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine

2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine (PubChem CID 130614270) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine.

Molecular Properties

Compound Name2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
PubChem CID130614270
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine
SMILESCOc1ncc2c(n1)CCC(N)C2
InChIInChI=1S/C9H13N3O/c1-13-9-11-5-6-4-7(10)2-3-8(6)12-9/h5,7H,2-4,10H2,1H3
InChIKeyGXZQZHOCZBYEMX-UHFFFAOYSA-N
XLogP0.30
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The IUPAC name of 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine (CID 130614270) is 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine.
What is the SMILES notation for 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The canonical SMILES for 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine is COc1ncc2c(n1)CCC(N)C2.
What is the InChIKey of 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
The InChIKey is GXZQZHOCZBYEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9-11-5-6-4-7(10)2-3-8(6)12-9/h5,7H,2-4,10H2,1H3.
What are the key properties of 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine?
2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine has a molecular weight of 179.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6,7,8-tetrahydroquinazolin-6-amine is sourced from PubChem (CID 130614270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).