7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

C15H17ClN4O — CID 122183629

IUPAC7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.Nc1ncc(-c2cccc3c2CC(=O)C(N)CC3)cn1
InChIInChI=1S/C15H16N4O.ClH/c16-13-5-4-9-2-1-3-11(12(9)6-14(13)20)10-7-18-15(17)19-8-10;/h1-3,7-8,13H,4-6,16H2,(H2,17,18,19);1H
InChIKeyFOYGOQFXJDDCLT-UHFFFAOYSA-N
MW304.78 g/mol
LogP1.53
Rot. Bonds1

About 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride

7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (PubChem CID 122183629) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.

Molecular Properties

Compound Name7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
PubChem CID122183629
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
SMILESCl.Nc1ncc(-c2cccc3c2CC(=O)C(N)CC3)cn1
InChIInChI=1S/C15H16N4O.ClH/c16-13-5-4-9-2-1-3-11(12(9)6-14(13)20)10-7-18-15(17)19-8-10;/h1-3,7-8,13H,4-6,16H2,(H2,17,18,19);1H
InChIKeyFOYGOQFXJDDCLT-UHFFFAOYSA-N
XLogP1.53
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The IUPAC name of 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride (CID 122183629) is 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride.
What is the SMILES notation for 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The canonical SMILES for 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is Cl.Nc1ncc(-c2cccc3c2CC(=O)C(N)CC3)cn1.
What is the InChIKey of 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
The InChIKey is FOYGOQFXJDDCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O.ClH/c16-13-5-4-9-2-1-3-11(12(9)6-14(13)20)10-7-18-15(17)19-8-10;/h1-3,7-8,13H,4-6,16H2,(H2,17,18,19);1H.
What are the key properties of 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride?
7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride has a molecular weight of 304.78 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(2-aminopyrimidin-5-yl)-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride is sourced from PubChem (CID 122183629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).