2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

C19H32N6O2 — CID 171993952

IUPAC2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC(Nc3nccc(N(C)C)n3)C2)CC(C)O1
InChIInChI=1S/C19H32N6O2/c1-14-10-25(11-15(2)27-14)18(26)13-24-9-5-6-16(12-24)21-19-20-8-7-17(22-19)23(3)4/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,20,21,22)
InChIKeyPPPTVKBXJJZUHK-UHFFFAOYSA-N
MW376.51 g/mol
LogP1.05
Rot. Bonds5

About 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone

2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (PubChem CID 171993952) has the molecular formula C19H32N6O2 and a molecular weight of 376.51 g/mol. Its IUPAC name is 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
PubChem CID171993952
Molecular FormulaC19H32N6O2
Molecular Weight376.51 g/mol
Exact Mass376.26
IUPAC Name2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN2CCCC(Nc3nccc(N(C)C)n3)C2)CC(C)O1
InChIInChI=1S/C19H32N6O2/c1-14-10-25(11-15(2)27-14)18(26)13-24-9-5-6-16(12-24)21-19-20-8-7-17(22-19)23(3)4/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,20,21,22)
InChIKeyPPPTVKBXJJZUHK-UHFFFAOYSA-N
XLogP1.05
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.51
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone with MolForge

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Related Compounds

4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580
2-N-[1-[(3,5-difluoro-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171996730
1-(azepan-1-yl)-2-[3-[(4-methylpyrimidin-2-yl)amino]pyrrolidin-1-yl]ethanone
CID 171993085
4-N,4-N-dimethyl-2-N-[1-(1,3-thiazol-4-ylmethyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171995992
4-N,4-N-dimethyl-2-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172893174
4-N,4-N-dimethyl-2-N-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881622
2-N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]-4-N,4-N-dimethylpyrimidine-2,4-diamine
CID 171997332
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-[(3S)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 100904592
1-(2,6-dimethylmorpholin-4-yl)-2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanone
CID 86771068
N-[1-[[2-(dimethylamino)pyrimidin-5-yl]methyl]piperidin-3-yl]-4-methylpyrimidin-2-amine
CID 171994115
4-N,4-N-dimethyl-2-N-[1-(3-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 171996700
4-N,4-N-dimethyl-2-N-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]pyrimidine-2,4-diamine
CID 172881783

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone (CID 171993952) is 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN2CCCC(Nc3nccc(N(C)C)n3)C2)CC(C)O1.
What is the InChIKey of 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
The InChIKey is PPPTVKBXJJZUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O2/c1-14-10-25(11-15(2)27-14)18(26)13-24-9-5-6-16(12-24)21-19-20-8-7-17(22-19)23(3)4/h7-8,14-16H,5-6,9-13H2,1-4H3,(H,20,21,22).
What are the key properties of 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone?
2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone has a molecular weight of 376.51 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone is sourced from PubChem (CID 171993952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).