3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H20N4O3 — CID 154735878

IUPAC3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1nc(C)cc(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10-9-11(16-13(15-10)19-2)14-4-3-12(18)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyIXKSPVNQQPGSQH-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.45
Rot. Bonds5

About 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 154735878) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID154735878
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCOc1nc(C)cc(NCCC(=O)N2CCOCC2)n1
InChIInChI=1S/C13H20N4O3/c1-10-9-11(16-13(15-10)19-2)14-4-3-12(18)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16)
InChIKeyIXKSPVNQQPGSQH-UHFFFAOYSA-N
XLogP0.45
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-2-carboxylate
CID 66287425
2-[(2-chloro-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylethanone
CID 113406418
3-[(4,5-dimethyl-1,3-thiazol-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 112698599
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
3-[(4-methyl-5-nitro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 115669026
1-morpholin-4-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 112695183
3-[(5-bromo-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112692551
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
3-[(4-methyl-1,3-thiazol-2-yl)methylamino]-1-morpholin-4-ylpropan-1-one
CID 115633696
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
2-[(3-morpholin-4-yl-3-oxopropyl)amino]-1,3-oxazole-4-carboxylic acid
CID 113411549
3-(3-aminoanilino)-1-morpholin-4-ylpropan-1-one
CID 113411257

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 154735878) is 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is COc1nc(C)cc(NCCC(=O)N2CCOCC2)n1.
What is the InChIKey of 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is IXKSPVNQQPGSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-10-9-11(16-13(15-10)19-2)14-4-3-12(18)17-5-7-20-8-6-17/h9H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 280.33 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-6-methylpyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 154735878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).