N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

C14H21N3O — CID 55062379

IUPACN-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C14H21N3O/c1-2-15-14-11-5-3-4-6-12(11)16-13(17-14)10-7-8-18-9-10/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyOHNPUANMFDEFKF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.29
Rot. Bonds3

About N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine

N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 55062379) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID55062379
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(C2CCOC2)nc2c1CCCC2
InChIInChI=1S/C14H21N3O/c1-2-15-14-11-5-3-4-6-12(11)16-13(17-14)10-7-8-18-9-10/h10H,2-9H2,1H3,(H,15,16,17)
InChIKeyOHNPUANMFDEFKF-UHFFFAOYSA-N
XLogP2.29
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 55062379) is N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(C2CCOC2)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is OHNPUANMFDEFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-15-14-11-5-3-4-6-12(11)16-13(17-14)10-7-8-18-9-10/h10H,2-9H2,1H3,(H,15,16,17).
What are the key properties of N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 247.34 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-3-yl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 55062379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).