N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

C16H28N6O — CID 166314343

IUPACN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(Cc1cnc(N(C)C)nc1)C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C16H28N6O/c1-20(2)16-18-9-13(10-19-16)11-22(4)15(23)12-21(3)14-5-7-17-8-6-14/h9-10,14,17H,5-8,11-12H2,1-4H3
InChIKeyVHRJOUYNWMRETN-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.18
Rot. Bonds6

About N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide

N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (PubChem CID 166314343) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
PubChem CID166314343
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC NameN-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide
SMILESCN(Cc1cnc(N(C)C)nc1)C(=O)CN(C)C1CCNCC1
InChIInChI=1S/C16H28N6O/c1-20(2)16-18-9-13(10-19-16)11-22(4)15(23)12-21(3)14-5-7-17-8-6-14/h9-10,14,17H,5-8,11-12H2,1-4H3
InChIKeyVHRJOUYNWMRETN-UHFFFAOYSA-N
XLogP0.18
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide (CID 166314343) is N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is CN(Cc1cnc(N(C)C)nc1)C(=O)CN(C)C1CCNCC1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
The InChIKey is VHRJOUYNWMRETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c1-20(2)16-18-9-13(10-19-16)11-22(4)15(23)12-21(3)14-5-7-17-8-6-14/h9-10,14,17H,5-8,11-12H2,1-4H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide?
N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide has a molecular weight of 320.44 g/mol, XLogP of 0.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-N-methyl-2-[methyl(piperidin-4-yl)amino]acetamide is sourced from PubChem (CID 166314343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).