4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

C16H19N3O — CID 155522219

IUPAC4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3c2CCCC3C)cc1
InChIInChI=1S/C16H19N3O/c1-10-4-3-5-13-14(10)18-16(17)19-15(13)11-6-8-12(20-2)9-7-11/h6-10H,3-5H2,1-2H3,(H2,17,18,19)
InChIKeyOYWOVXNGMWPCDE-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.17
Rot. Bonds2

About 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine

4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 155522219) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID155522219
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCOc1ccc(-c2nc(N)nc3c2CCCC3C)cc1
InChIInChI=1S/C16H19N3O/c1-10-4-3-5-13-14(10)18-16(17)19-15(13)11-6-8-12(20-2)9-7-11/h6-10H,3-5H2,1-2H3,(H2,17,18,19)
InChIKeyOYWOVXNGMWPCDE-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-Quinazolinediamine, 5-methoxy-
CID 213752
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
5-[3-[3-(3,5-Dimethylphenyl)-5-methoxy-phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195124
5-[3-[3-Methoxy-5-(p-tolyl)phenyl]but-1-ynyl]-6-methyl-pyrimidine-2,4-diamine
CID 25195125
7-(2-Methoxyphenyl)quinazoline-2,4-Diamine
CID 53346505
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
5-[(3R)-3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 25093369
5-[(3R)-3-(5-methoxy-4'-methylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine
CID 44144378
5-((3R)-3-(5-methoxy-3',5'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144379
5-((3R)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl)-6-methylpyrimidine-2,4-diamine
CID 44144380
4-Methoxy-2-(4-propoxyphenyl)quinazoline
CID 1612038
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine (CID 155522219) is 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is COc1ccc(-c2nc(N)nc3c2CCCC3C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is OYWOVXNGMWPCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-10-4-3-5-13-14(10)18-16(17)19-15(13)11-6-8-12(20-2)9-7-11/h6-10H,3-5H2,1-2H3,(H2,17,18,19).
What are the key properties of 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine?
4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-8-methyl-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 155522219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).