4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one

C15H16N4O2 — CID 69060917

IUPAC4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C15H16N4O2/c20-14-11-21-9-8-19(14)10-13-6-7-16-15(18-13)17-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,17,18)
InChIKeyOWTWXTRUVSUTDD-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.58
Rot. Bonds4

About 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one

4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one (PubChem CID 69060917) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one.

Molecular Properties

Compound Name4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one
PubChem CID69060917
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one
SMILESO=C1COCCN1Cc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C15H16N4O2/c20-14-11-21-9-8-19(14)10-13-6-7-16-15(18-13)17-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,17,18)
InChIKeyOWTWXTRUVSUTDD-UHFFFAOYSA-N
XLogP1.58
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one 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 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one?
The IUPAC name of 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one (CID 69060917) is 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one.
What is the SMILES notation for 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one?
The canonical SMILES for 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one is O=C1COCCN1Cc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one?
The InChIKey is OWTWXTRUVSUTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-11-21-9-8-19(14)10-13-6-7-16-15(18-13)17-12-4-2-1-3-5-12/h1-7H,8-11H2,(H,16,17,18).
What are the key properties of 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one?
4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one has a molecular weight of 284.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-anilinopyrimidin-4-yl)methyl]morpholin-3-one is sourced from PubChem (CID 69060917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).