3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol

C15H17N3O — CID 155538966

IUPAC3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol
SMILESCC1CCCc2c(-c3cccc(O)c3)nc(N)nc21
InChIInChI=1S/C15H17N3O/c1-9-4-2-7-12-13(9)17-15(16)18-14(12)10-5-3-6-11(19)8-10/h3,5-6,8-9,19H,2,4,7H2,1H3,(H2,16,17,18)
InChIKeyJDCXNNSDFFPWPI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.87
Rot. Bonds1

About 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol

3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol (PubChem CID 155538966) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol
PubChem CID155538966
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol
SMILESCC1CCCc2c(-c3cccc(O)c3)nc(N)nc21
InChIInChI=1S/C15H17N3O/c1-9-4-2-7-12-13(9)17-15(16)18-14(12)10-5-3-6-11(19)8-10/h3,5-6,8-9,19H,2,4,7H2,1H3,(H2,16,17,18)
InChIKeyJDCXNNSDFFPWPI-UHFFFAOYSA-N
XLogP2.87
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol?
The IUPAC name of 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol (CID 155538966) is 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol.
What is the SMILES notation for 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol?
The canonical SMILES for 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol is CC1CCCc2c(-c3cccc(O)c3)nc(N)nc21.
What is the InChIKey of 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol?
The InChIKey is JDCXNNSDFFPWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-4-2-7-12-13(9)17-15(16)18-14(12)10-5-3-6-11(19)8-10/h3,5-6,8-9,19H,2,4,7H2,1H3,(H2,16,17,18).
What are the key properties of 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol?
3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol has a molecular weight of 255.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-8-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)phenol is sourced from PubChem (CID 155538966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).