2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C12H19N3O — CID 64533818

IUPAC2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCOC(C)c1ncc2c(n1)CCCC2N
InChIInChI=1S/C12H19N3O/c1-3-16-8(2)12-14-7-9-10(13)5-4-6-11(9)15-12/h7-8,10H,3-6,13H2,1-2H3
InChIKeyMWZHIAYSEVQFEJ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 64533818) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID64533818
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCOC(C)c1ncc2c(n1)CCCC2N
InChIInChI=1S/C12H19N3O/c1-3-16-8(2)12-14-7-9-10(13)5-4-6-11(9)15-12/h7-8,10H,3-6,13H2,1-2H3
InChIKeyMWZHIAYSEVQFEJ-UHFFFAOYSA-N
XLogP1.91
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 64533818) is 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCOC(C)c1ncc2c(n1)CCCC2N.
What is the InChIKey of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is MWZHIAYSEVQFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-16-8(2)12-14-7-9-10(13)5-4-6-11(9)15-12/h7-8,10H,3-6,13H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 221.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 64533818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).