2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

C13H20N4O — CID 112695203

IUPAC2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nccc(NC(C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C13H20N4O/c1-10(13(18)17-8-4-3-5-9-17)15-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15,16)
InChIKeyFYYDWQDAXVMOFP-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.60
Rot. Bonds3

About 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one

2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 112695203) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
PubChem CID112695203
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
SMILESCc1nccc(NC(C)C(=O)N2CCCCC2)n1
InChIInChI=1S/C13H20N4O/c1-10(13(18)17-8-4-3-5-9-17)15-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15,16)
InChIKeyFYYDWQDAXVMOFP-UHFFFAOYSA-N
XLogP1.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 115643799
2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]pyridine-4-carboxylic acid
CID 115596229
1-piperidin-1-yl-2-(pyridin-2-ylamino)propan-1-one
CID 112551717
2-[(5-bromo-6-methyl-2-pyridinyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114046627
2-[(6-methylpyridazin-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 113408677
1-piperidin-1-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-one
CID 115584173
2-(4-methylanilino)-1-piperidin-1-ylpropan-1-one
CID 43083406
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547985
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
(2R)-2-[[2-methyl-6-[(2-methylbenzimidazol-1-yl)methyl]pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
CID 92612508
2-[(5-chloropyrimidin-2-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112696405

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one (CID 112695203) is 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is Cc1nccc(NC(C)C(=O)N2CCCCC2)n1.
What is the InChIKey of 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is FYYDWQDAXVMOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10(13(18)17-8-4-3-5-9-17)15-12-6-7-14-11(2)16-12/h6-7,10H,3-5,8-9H2,1-2H3,(H,14,15,16).
What are the key properties of 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one?
2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 112695203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).