2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride

C16H28Cl2N6O2 — CID 119873276

IUPAC2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1.Cl.Cl
InChIInChI=1S/C16H26N6O2.2ClH/c1-13(12-17-2)15(24)18-7-4-14(23)21-8-10-22(11-9-21)16-19-5-3-6-20-16;;/h3,5-6,13,17H,4,7-12H2,1-2H3,(H,18,24);2*1H
InChIKeyLXXUAAOFARFZGQ-UHFFFAOYSA-N
MW407.35 g/mol
LogP0.33
Rot. Bonds7

About 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride

2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride (PubChem CID 119873276) has the molecular formula C16H28Cl2N6O2 and a molecular weight of 407.35 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride
PubChem CID119873276
Molecular FormulaC16H28Cl2N6O2
Molecular Weight407.35 g/mol
Exact Mass406.17
IUPAC Name2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride
SMILESCNCC(C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1.Cl.Cl
InChIInChI=1S/C16H26N6O2.2ClH/c1-13(12-17-2)15(24)18-7-4-14(23)21-8-10-22(11-9-21)16-19-5-3-6-20-16;;/h3,5-6,13,17H,4,7-12H2,1-2H3,(H,18,24);2*1H
InChIKeyLXXUAAOFARFZGQ-UHFFFAOYSA-N
XLogP0.33
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.35
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride with MolForge

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Related Compounds

(2S)-2-methylsulfanyl-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide
CID 95329290
2-methyl-1-(2-methylpropyl)-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 111179658
1,2-dimethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine;hydroiodide
CID 110927945
2-methyl-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]butanamide
CID 51100747
3-(4-propan-2-ylanilino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 109030431
methyl 4-oxo-4-(4-pyrimidin-2-ylpiperazin-1-yl)butanoate
CID 110756099
2-ethyl-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 112994682
2-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-3-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111246989
N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119873292
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78915307
2-(propylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671666
4-amino-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one;dihydrochloride
CID 119827999

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride (CID 119873276) is 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride is CNCC(C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride?
The InChIKey is LXXUAAOFARFZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2.2ClH/c1-13(12-17-2)15(24)18-7-4-14(23)21-8-10-22(11-9-21)16-19-5-3-6-20-16;;/h3,5-6,13,17H,4,7-12H2,1-2H3,(H,18,24);2*1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride?
2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride has a molecular weight of 407.35 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide;dihydrochloride is sourced from PubChem (CID 119873276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).