3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide

C13H20N4O2 — CID 53164798

IUPAC3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(2)7-12(18)16-11-8-14-13(15-9-11)17-3-5-19-6-4-17/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyXRQGDTXTJNBDIJ-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.30
Rot. Bonds4

About 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide

3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide (PubChem CID 53164798) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide
PubChem CID53164798
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide
SMILESCC(C)CC(=O)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C13H20N4O2/c1-10(2)7-12(18)16-11-8-14-13(15-9-11)17-3-5-19-6-4-17/h8-10H,3-7H2,1-2H3,(H,16,18)
InChIKeyXRQGDTXTJNBDIJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide?
The IUPAC name of 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide (CID 53164798) is 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide.
What is the SMILES notation for 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide?
The canonical SMILES for 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide is CC(C)CC(=O)Nc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide?
The InChIKey is XRQGDTXTJNBDIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(2)7-12(18)16-11-8-14-13(15-9-11)17-3-5-19-6-4-17/h8-10H,3-7H2,1-2H3,(H,16,18).
What are the key properties of 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide?
3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide has a molecular weight of 264.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)butanamide is sourced from PubChem (CID 53164798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).