N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C13H21N5O — CID 53189393

IUPACN-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(c2ccnc(NC)n2)CC1
InChIInChI=1S/C13H21N5O/c1-14-12(19)9-10-4-7-18(8-5-10)11-3-6-16-13(15-2)17-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyDRHSNLFYENNBPT-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.87
Rot. Bonds4

About N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 53189393) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID53189393
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC NameN-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNC(=O)CC1CCN(c2ccnc(NC)n2)CC1
InChIInChI=1S/C13H21N5O/c1-14-12(19)9-10-4-7-18(8-5-10)11-3-6-16-13(15-2)17-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyDRHSNLFYENNBPT-UHFFFAOYSA-N
XLogP0.87
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 17590602
Bmy 21502
CID 129930
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid cycloheptylamide
CID 3223374
N-[1-(pyrimidin-2-yl)piperidin-4-yl]acetamide
CID 47208637
[(1-Pyrimidin-2-yl-piperidine-3-carbonyl)-amino]-acetic acid ethyl ester
CID 644802
N-(2-methoxyethyl)-1-(pyrimidin-2-yl)piperidine-3-carboxamide
CID 645990
1-Pyrimidin-2-yl-piperidine-4-carboxylic acid cyclohexylamide
CID 24792244
1-(4-Chloropyrimidin-2-yl)piperidine-4-carboxamide
CID 46907729
Valeramide, 2-propyl-N-(2-pyrimidinyl)-
CID 88962
N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
(2S)-2-amino-5-(diaminomethylideneamino)-N-methyl-N-[3-[methyl(pyrimidin-2-yl)amino]propyl]pentanamide
CID 45102734
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 53189393) is N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNC(=O)CC1CCN(c2ccnc(NC)n2)CC1.
What is the InChIKey of N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is DRHSNLFYENNBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-14-12(19)9-10-4-7-18(8-5-10)11-3-6-16-13(15-2)17-11/h3,6,10H,4-5,7-9H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 53189393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).