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

C14H23N5O — CID 115643799

IUPAC2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ccnc(N(C)C)n1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N5O/c1-11(13(20)19-9-5-4-6-10-19)16-12-7-8-15-14(17-12)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyFFTRHVLOTMXKML-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds4

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

2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (PubChem CID 115643799) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
PubChem CID115643799
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one
SMILESCC(Nc1ccnc(N(C)C)n1)C(=O)N1CCCCC1
InChIInChI=1S/C14H23N5O/c1-11(13(20)19-9-5-4-6-10-19)16-12-7-8-15-14(17-12)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,15,16,17)
InChIKeyFFTRHVLOTMXKML-UHFFFAOYSA-N
XLogP1.36
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methylpyrimidin-4-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 112695203
(2S)-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 122049427
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
1-(azepan-1-yl)-2-[4-(dimethylamino)anilino]propan-1-one
CID 43408353
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-cyclohexyl-2-[[2-(dimethylamino)pyrimidin-4-yl]amino]acetic acid
CID 64829261
2-[(3-fluoro-2-pyridinyl)amino]-1-piperidin-1-ylpropan-1-one
CID 112551708
2-(furo[3,2-c]pyridin-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103911659
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547985

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one (CID 115643799) is 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is CC(Nc1ccnc(N(C)C)n1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
The InChIKey is FFTRHVLOTMXKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(13(20)19-9-5-4-6-10-19)16-12-7-8-15-14(17-12)18(2)3/h7-8,11H,4-6,9-10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one?
2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one has a molecular weight of 277.37 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)pyrimidin-4-yl]amino]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 115643799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).