N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C12H19N3O — CID 62007510

IUPACN-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(COC)ncc21
InChIInChI=1S/C12H19N3O/c1-3-13-10-5-4-6-11-9(10)7-14-12(15-11)8-16-2/h7,10,13H,3-6,8H2,1-2H3
InChIKeyWSFSTUKNZAGAJV-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.61
Rot. Bonds4

About N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine

N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62007510) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62007510
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCNC1CCCc2nc(COC)ncc21
InChIInChI=1S/C12H19N3O/c1-3-13-10-5-4-6-11-9(10)7-14-12(15-11)8-16-2/h7,10,13H,3-6,8H2,1-2H3
InChIKeyWSFSTUKNZAGAJV-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 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 ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62007510) is N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CCNC1CCCc2nc(COC)ncc21.
What is the InChIKey of N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is WSFSTUKNZAGAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-10-5-4-6-11-9(10)7-14-12(15-11)8-16-2/h7,10,13H,3-6,8H2,1-2H3.
What are the key properties of N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 221.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62007510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).