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

C15H23N3O — CID 62191641

IUPACN-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-2-16-15-12-7-3-4-8-13(12)17-14(18-15)10-11-6-5-9-19-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyIYNGOFAFJNNALQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.51
Rot. Bonds4

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

N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 62191641) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID62191641
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCCNc1nc(CC2CCCO2)nc2c1CCCC2
InChIInChI=1S/C15H23N3O/c1-2-16-15-12-7-3-4-8-13(12)17-14(18-15)10-11-6-5-9-19-11/h11H,2-10H2,1H3,(H,16,17,18)
InChIKeyIYNGOFAFJNNALQ-UHFFFAOYSA-N
XLogP2.51
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.51
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-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine (CID 62191641) is N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is CCNc1nc(CC2CCCO2)nc2c1CCCC2.
What is the InChIKey of N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is IYNGOFAFJNNALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-16-15-12-7-3-4-8-13(12)17-14(18-15)10-11-6-5-9-19-11/h11H,2-10H2,1H3,(H,16,17,18).
What are the key properties of N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine?
N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 62191641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).