2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide

C12H18N4O2 — CID 71789981

IUPAC2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
SMILESCC(C)C(=O)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-9(2)11(17)15-10-7-13-12(14-8-10)16-3-5-18-6-4-16/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyCOKTXZSMMNVNGR-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.91
Rot. Bonds3

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

2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide (PubChem CID 71789981) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
PubChem CID71789981
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide
SMILESCC(C)C(=O)Nc1cnc(N2CCOCC2)nc1
InChIInChI=1S/C12H18N4O2/c1-9(2)11(17)15-10-7-13-12(14-8-10)16-3-5-18-6-4-16/h7-9H,3-6H2,1-2H3,(H,15,17)
InChIKeyCOKTXZSMMNVNGR-UHFFFAOYSA-N
XLogP0.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The IUPAC name of 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide (CID 71789981) is 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The canonical SMILES for 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide is CC(C)C(=O)Nc1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
The InChIKey is COKTXZSMMNVNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-9(2)11(17)15-10-7-13-12(14-8-10)16-3-5-18-6-4-16/h7-9H,3-6H2,1-2H3,(H,15,17).
What are the key properties of 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide?
2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide has a molecular weight of 250.30 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-morpholin-4-ylpyrimidin-5-yl)propanamide is sourced from PubChem (CID 71789981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).