2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one

C17H28N4O2 — CID 133369179

IUPAC2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1ccnc(C(C)(C)C)n1)C(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-12(2)14(15(22)21-8-10-23-11-9-21)19-13-6-7-18-16(20-13)17(3,4)5/h6-7,12,14H,8-11H2,1-5H3,(H,18,19,20)
InChIKeyCLBHGWYWMUXLOV-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.07
Rot. Bonds4

About 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one

2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one (PubChem CID 133369179) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
PubChem CID133369179
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one
SMILESCC(C)C(Nc1ccnc(C(C)(C)C)n1)C(=O)N1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-12(2)14(15(22)21-8-10-23-11-9-21)19-13-6-7-18-16(20-13)17(3,4)5/h6-7,12,14H,8-11H2,1-5H3,(H,18,19,20)
InChIKeyCLBHGWYWMUXLOV-UHFFFAOYSA-N
XLogP2.07
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)amino]pyridazine-3-carbonitrile
CID 133420091
2-[[4-(4-fluorophenoxy)pyrimidin-2-yl]amino]-3-methyl-1-morpholin-4-ylbutan-1-one
CID 133369175
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
N-(3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl)benzamide
CID 78777337
2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]-1-morpholin-4-ylpropan-1-one
CID 133447507
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
(2R)-2-(1H-imidazol-2-ylmethylamino)-3-methyl-1-morpholin-4-ylbutan-1-one
CID 97002473
2-[(3-methyl-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 113408683
(2S)-3-methyl-1-morpholin-4-yl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-one
CID 97334466
(2S)-3-methyl-1-morpholin-4-yl-2-[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]butan-1-one
CID 96542349
4-fluoro-N-[(2S)-3-methyl-1-morpholin-4-yl-1-oxobutan-2-yl]benzamide
CID 9104538
2-[(3-fluoro-2-pyridinyl)amino]-1-morpholin-4-ylpropan-1-one
CID 112551724

Frequently Asked Questions

What is the IUPAC name of 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one (CID 133369179) is 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one is CC(C)C(Nc1ccnc(C(C)(C)C)n1)C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
The InChIKey is CLBHGWYWMUXLOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-12(2)14(15(22)21-8-10-23-11-9-21)19-13-6-7-18-16(20-13)17(3,4)5/h6-7,12,14H,8-11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one?
2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one has a molecular weight of 320.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-tert-butylpyrimidin-4-yl)amino]-3-methyl-1-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 133369179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).