2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine

C16H17N7O — CID 127029338

IUPAC2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccc(N)c3n2)cn1
InChIInChI=1S/C16H17N7O/c17-12-3-1-2-11-13(12)21-14(10-8-19-16(18)20-9-10)22-15(11)23-4-6-24-7-5-23/h1-3,8-9H,4-7,17H2,(H2,18,19,20)
InChIKeySRLJNORWHXLDOK-UHFFFAOYSA-N
MW323.36 g/mol
LogP1.09
Rot. Bonds2

About 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine

2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine (PubChem CID 127029338) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine
PubChem CID127029338
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC Name2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine
SMILESNc1ncc(-c2nc(N3CCOCC3)c3cccc(N)c3n2)cn1
InChIInChI=1S/C16H17N7O/c17-12-3-1-2-11-13(12)21-14(10-8-19-16(18)20-9-10)22-15(11)23-4-6-24-7-5-23/h1-3,8-9H,4-7,17H2,(H2,18,19,20)
InChIKeySRLJNORWHXLDOK-UHFFFAOYSA-N
XLogP1.09
TPSA116.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine (CID 127029338) is 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine is Nc1ncc(-c2nc(N3CCOCC3)c3cccc(N)c3n2)cn1.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine?
The InChIKey is SRLJNORWHXLDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c17-12-3-1-2-11-13(12)21-14(10-8-19-16(18)20-9-10)22-15(11)23-4-6-24-7-5-23/h1-3,8-9H,4-7,17H2,(H2,18,19,20).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine?
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine has a molecular weight of 323.36 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylquinazolin-8-amine is sourced from PubChem (CID 127029338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).