2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

C13H21N5O — CID 80806727

IUPAC2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1ncnc(N2CCC(CC(N)=O)CC2)c1C
InChIInChI=1S/C13H21N5O/c1-9-12(15-2)16-8-17-13(9)18-5-3-10(4-6-18)7-11(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyJFHFMAQYSZMYIO-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.92
Rot. Bonds4

About 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide

2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (PubChem CID 80806727) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
PubChem CID80806727
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide
SMILESCNc1ncnc(N2CCC(CC(N)=O)CC2)c1C
InChIInChI=1S/C13H21N5O/c1-9-12(15-2)16-8-17-13(9)18-5-3-10(4-6-18)7-11(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyJFHFMAQYSZMYIO-UHFFFAOYSA-N
XLogP0.92
TPSA84.14 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 ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(5-amino-3-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 62475541
2-[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80806378
1-[5-bromo-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 114071833
N,3-dimethyl-1-[5-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidine-3-carboxamide
CID 106322506
1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]piperidine-4-carboxamide
CID 80753870
2-[1-(6-aminopyrimidin-4-yl)piperidin-4-yl]acetamide
CID 78930041
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxamide
CID 112725358
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
2-[1-(5-amino-3-bromo-2-pyridinyl)piperidin-4-yl]acetamide
CID 79532624
(4-aminopiperidin-1-yl)-[5-methyl-6-(methylamino)pyrimidin-4-yl]methanone
CID 134408091
2-[1-(6-chloro-2-cyclopropyl-5-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 80980160
N,5-dimethyl-6-(3,4,5-trimethylpiperazin-1-yl)pyrimidin-4-amine
CID 114541822

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide (CID 80806727) is 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is CNc1ncnc(N2CCC(CC(N)=O)CC2)c1C.
What is the InChIKey of 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
The InChIKey is JFHFMAQYSZMYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-12(15-2)16-8-17-13(9)18-5-3-10(4-6-18)7-11(14)19/h8,10H,3-7H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide?
2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide has a molecular weight of 263.34 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]acetamide is sourced from PubChem (CID 80806727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).