5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine

C17H18N6O — CID 91800697

IUPAC5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1N
InChIInChI=1S/C17H18N6O/c18-14-8-12(9-20-16(14)19)11-1-2-15-13(7-11)17(22-10-21-15)23-3-5-24-6-4-23/h1-2,7-10H,3-6,18H2,(H2,19,20)
InChIKeyWIFGHMAOMSWZGU-UHFFFAOYSA-N
MW322.37 g/mol
LogP1.69
Rot. Bonds2

About 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine

5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine (PubChem CID 91800697) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine.

Molecular Properties

Compound Name5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine
PubChem CID91800697
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC Name5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine
SMILESNc1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1N
InChIInChI=1S/C17H18N6O/c18-14-8-12(9-20-16(14)19)11-1-2-15-13(7-11)17(22-10-21-15)23-3-5-24-6-4-23/h1-2,7-10H,3-6,18H2,(H2,19,20)
InChIKeyWIFGHMAOMSWZGU-UHFFFAOYSA-N
XLogP1.69
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine?
The IUPAC name of 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine (CID 91800697) is 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine.
What is the SMILES notation for 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine?
The canonical SMILES for 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine is Nc1cc(-c2ccc3ncnc(N4CCOCC4)c3c2)cnc1N.
What is the InChIKey of 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine?
The InChIKey is WIFGHMAOMSWZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O/c18-14-8-12(9-20-16(14)19)11-1-2-15-13(7-11)17(22-10-21-15)23-3-5-24-6-4-23/h1-2,7-10H,3-6,18H2,(H2,19,20).
What are the key properties of 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine?
5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine has a molecular weight of 322.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-morpholin-4-ylquinazolin-6-yl)pyridine-2,3-diamine is sourced from PubChem (CID 91800697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).