N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

C15H25N3O — CID 81425911

IUPACN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)OC)nc(C)c2C1
InChIInChI=1S/C15H25N3O/c1-5-16-9-12-6-7-14-13(8-12)10(2)17-15(18-14)11(3)19-4/h11-12,16H,5-9H2,1-4H3
InChIKeyLWEGDSWLKPKNNB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.21
Rot. Bonds5

About N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine

N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (PubChem CID 81425911) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
PubChem CID81425911
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
SMILESCCNCC1CCc2nc(C(C)OC)nc(C)c2C1
InChIInChI=1S/C15H25N3O/c1-5-16-9-12-6-7-14-13(8-12)10(2)17-15(18-14)11(3)19-4/h11-12,16H,5-9H2,1-4H3
InChIKeyLWEGDSWLKPKNNB-UHFFFAOYSA-N
XLogP2.21
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine (CID 81425911) is N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is CCNCC1CCc2nc(C(C)OC)nc(C)c2C1.
What is the InChIKey of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
The InChIKey is LWEGDSWLKPKNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-16-9-12-6-7-14-13(8-12)10(2)17-15(18-14)11(3)19-4/h11-12,16H,5-9H2,1-4H3.
What are the key properties of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine?
N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine is sourced from PubChem (CID 81425911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).