[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone

C20H20N4O3 — CID 127036693

IUPAC[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1
InChIInChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
InChIKeyQIFBQOZLXFZMLD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.77
Rot. Bonds3

About [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone

[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 127036693) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID127036693
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1
InChIInChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23)
InChIKeyQIFBQOZLXFZMLD-UHFFFAOYSA-N
XLogP2.77
TPSA94.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone 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 [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone (CID 127036693) is [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(-c3cccc(C(=O)N4CCOCC4)c3)nc(N)n2)o1.
What is the InChIKey of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is QIFBQOZLXFZMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-5-6-18(27-13)17-12-16(22-20(21)23-17)14-3-2-4-15(11-14)19(25)24-7-9-26-10-8-24/h2-6,11-12H,7-10H2,1H3,(H2,21,22,23).
What are the key properties of [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone?
[3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 364.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-amino-6-(5-methylfuran-2-yl)pyrimidin-4-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 127036693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).