2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

C13H19N3O — CID 62192106

IUPAC2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c14-13-10-5-1-2-6-11(10)15-12(16-13)8-9-4-3-7-17-9/h9H,1-8H2,(H2,14,15,16)
InChIKeyMCARPESRXXYIQR-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.66
Rot. Bonds2

About 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine

2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62192106) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62192106
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C13H19N3O/c14-13-10-5-1-2-6-11(10)15-12(16-13)8-9-4-3-7-17-9/h9H,1-8H2,(H2,14,15,16)
InChIKeyMCARPESRXXYIQR-UHFFFAOYSA-N
XLogP1.66
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62192106) is 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is Nc1nc(CC2CCCO2)nc2c1CCCC2.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is MCARPESRXXYIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13-10-5-1-2-6-11(10)15-12(16-13)8-9-4-3-7-17-9/h9H,1-8H2,(H2,14,15,16).
What are the key properties of 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62192106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).