4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine

C12H19N3O — CID 57000786

IUPAC4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCCCOc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-8-16-11-9-6-4-5-7-10(9)14-12(13)15-11/h2-8H2,1H3,(H2,13,14,15)
InChIKeyVCXFYGSKKCGDDJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.12
Rot. Bonds4

About 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine

4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 57000786) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID57000786
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCCCCOc1nc(N)nc2c1CCCC2
InChIInChI=1S/C12H19N3O/c1-2-3-8-16-11-9-6-4-5-7-10(9)14-12(13)15-11/h2-8H2,1H3,(H2,13,14,15)
InChIKeyVCXFYGSKKCGDDJ-UHFFFAOYSA-N
XLogP2.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine (CID 57000786) is 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine is CCCCOc1nc(N)nc2c1CCCC2.
What is the InChIKey of 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is VCXFYGSKKCGDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-3-8-16-11-9-6-4-5-7-10(9)14-12(13)15-11/h2-8H2,1H3,(H2,13,14,15).
What are the key properties of 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine?
4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 221.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 57000786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).