2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C17H21N3 — CID 62008871

IUPAC2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCC(C)c1ccc(-c2ncc3c(n2)CCCC3N)cc1
InChIInChI=1S/C17H21N3/c1-11(2)12-6-8-13(9-7-12)17-19-10-14-15(18)4-3-5-16(14)20-17/h6-11,15H,3-5,18H2,1-2H3
InChIKeyGAVCJYOEQKIMSV-UHFFFAOYSA-N
MW267.38 g/mol
LogP3.60
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 62008871) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID62008871
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCC(C)c1ccc(-c2ncc3c(n2)CCCC3N)cc1
InChIInChI=1S/C17H21N3/c1-11(2)12-6-8-13(9-7-12)17-19-10-14-15(18)4-3-5-16(14)20-17/h6-11,15H,3-5,18H2,1-2H3
InChIKeyGAVCJYOEQKIMSV-UHFFFAOYSA-N
XLogP3.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008870
2-(3-chlorophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008088
2-(3-chloro-4-fluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384986
2-(3-bromophenyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007896
2-(3-fluoro-4-methylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384794
2-[4-(difluoromethyl)phenyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 115525196
2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633134
2-(3-methylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-amine
CID 83861843
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
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
2-(3,4-dichlorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008112

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 62008871) is 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is CC(C)c1ccc(-c2ncc3c(n2)CCCC3N)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is GAVCJYOEQKIMSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-11(2)12-6-8-13(9-7-12)17-19-10-14-15(18)4-3-5-16(14)20-17/h6-11,15H,3-5,18H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 267.38 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 62008871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).