N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine

C16H18N6O — CID 108773228

IUPACN-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
SMILESc1nc(Nc2ccc(CN3CCOCC3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C16H18N6O/c1-3-13(4-2-12(1)9-22-5-7-23-8-6-22)21-16-14-15(18-10-17-14)19-11-20-16/h1-4,10-11H,5-9H2,(H2,17,18,19,20,21)
InChIKeyQWQZJJAZYYRJKT-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.93
Rot. Bonds4

About N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine

N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine (PubChem CID 108773228) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
PubChem CID108773228
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC NameN-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine
SMILESc1nc(Nc2ccc(CN3CCOCC3)cc2)c2[nH]cnc2n1
InChIInChI=1S/C16H18N6O/c1-3-13(4-2-12(1)9-22-5-7-23-8-6-22)21-16-14-15(18-10-17-14)19-11-20-16/h1-4,10-11H,5-9H2,(H2,17,18,19,20,21)
InChIKeyQWQZJJAZYYRJKT-UHFFFAOYSA-N
XLogP1.93
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine 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 N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine?
The IUPAC name of N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine (CID 108773228) is N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine.
What is the SMILES notation for N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine?
The canonical SMILES for N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine is c1nc(Nc2ccc(CN3CCOCC3)cc2)c2[nH]cnc2n1.
What is the InChIKey of N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine?
The InChIKey is QWQZJJAZYYRJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-3-13(4-2-12(1)9-22-5-7-23-8-6-22)21-16-14-15(18-10-17-14)19-11-20-16/h1-4,10-11H,5-9H2,(H2,17,18,19,20,21).
What are the key properties of N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine?
N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine has a molecular weight of 310.36 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(morpholin-4-ylmethyl)phenyl]-7H-purin-6-amine is sourced from PubChem (CID 108773228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).