2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C16H19N3O — CID 106792974

IUPAC2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCOc1cc(C)ccc1-c1ncc2c(n1)CCCC2N
InChIInChI=1S/C16H19N3O/c1-10-6-7-11(15(8-10)20-2)16-18-9-12-13(17)4-3-5-14(12)19-16/h6-9,13H,3-5,17H2,1-2H3
InChIKeyAJPMFVKLUOCCQA-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.80
Rot. Bonds2

About 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 106792974) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID106792974
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCOc1cc(C)ccc1-c1ncc2c(n1)CCCC2N
InChIInChI=1S/C16H19N3O/c1-10-6-7-11(15(8-10)20-2)16-18-9-12-13(17)4-3-5-14(12)19-16/h6-9,13H,3-5,17H2,1-2H3
InChIKeyAJPMFVKLUOCCQA-UHFFFAOYSA-N
XLogP2.80
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine with MolForge

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Related Compounds

2-(4-methyl-2-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384948
2-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007715
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384794
2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861843
5-bromo-2-(2-methoxy-4-methylphenyl)pyrimidin-4-amine
CID 106793083
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008871
2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
2-(2-fluorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861841

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 106792974) is 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is COc1cc(C)ccc1-c1ncc2c(n1)CCCC2N.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is AJPMFVKLUOCCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-6-7-11(15(8-10)20-2)16-18-9-12-13(17)4-3-5-14(12)19-16/h6-9,13H,3-5,17H2,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 269.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 106792974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).