[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C16H19N3O — CID 81423982

IUPAC[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCOc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1
InChIInChI=1S/C16H19N3O/c1-20-14-5-3-12(4-6-14)16-18-10-13-8-11(9-17)2-7-15(13)19-16/h3-6,10-11H,2,7-9,17H2,1H3
InChIKeyPAEKUPMADVDQOO-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.22
Rot. Bonds3

About [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81423982) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81423982
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCOc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1
InChIInChI=1S/C16H19N3O/c1-20-14-5-3-12(4-6-14)16-18-10-13-8-11(9-17)2-7-15(13)19-16/h3-6,10-11H,2,7-9,17H2,1H3
InChIKeyPAEKUPMADVDQOO-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81423982) is [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is COc1ccc(-c2ncc3c(n2)CCC(CN)C3)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is PAEKUPMADVDQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-20-14-5-3-12(4-6-14)16-18-10-13-8-11(9-17)2-7-15(13)19-16/h3-6,10-11H,2,7-9,17H2,1H3.
What are the key properties of [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 269.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81423982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).