N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

C13H21N5O — CID 80799087

IUPACN-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(NC)ncc2C)CC1
InChIInChI=1S/C13H21N5O/c1-9-8-16-13(15-3)17-11(9)18-6-4-10(5-7-18)12(19)14-2/h8,10H,4-7H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyVQYIQELNVKAZAR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.79
Rot. Bonds3

About N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide

N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (PubChem CID 80799087) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
PubChem CID80799087
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
SMILESCNC(=O)C1CCN(c2nc(NC)ncc2C)CC1
InChIInChI=1S/C13H21N5O/c1-9-8-16-13(15-3)17-11(9)18-6-4-10(5-7-18)12(19)14-2/h8,10H,4-7H2,1-3H3,(H,14,19)(H,15,16,17)
InChIKeyVQYIQELNVKAZAR-UHFFFAOYSA-N
XLogP0.79
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(dimethylamino)piperidin-1-yl]-N,5-dimethylpyrimidin-2-amine
CID 80793194
1-(5-bromo-3-methyl-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 112698998
N-methyl-1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 103198569
1-[5-chloro-2-(propylamino)pyrimidin-4-yl]-N-methylpiperidine-4-carboxamide
CID 80779212
1-(5-bromo-2-chloropyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 79076088
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
1-(5-iodopyrimidin-2-yl)-N-methylpiperidine-4-carboxamide
CID 104839991
1-(3-cyanopyrazin-2-yl)-N-methylpiperidine-4-carboxamide
CID 62684699
1-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 175051418
(3R)-N-methyl-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 95839521
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
1-[1-[5-methyl-2-(propylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839871

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide (CID 80799087) is N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is CNC(=O)C1CCN(c2nc(NC)ncc2C)CC1.
What is the InChIKey of N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
The InChIKey is VQYIQELNVKAZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-8-16-13(15-3)17-11(9)18-6-4-10(5-7-18)12(19)14-2/h8,10H,4-7H2,1-3H3,(H,14,19)(H,15,16,17).
What are the key properties of N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide?
N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 80799087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).