1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide

C13H21N5O — CID 80656948

IUPAC1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCNc1cc(C)nc(CN2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H21N5O/c1-9-6-11(15-2)17-12(16-9)8-18-5-3-4-10(7-18)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyKIIQVTCKGPCTPR-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.52
Rot. Bonds4

About 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide

1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide (PubChem CID 80656948) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
PubChem CID80656948
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide
SMILESCNc1cc(C)nc(CN2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H21N5O/c1-9-6-11(15-2)17-12(16-9)8-18-5-3-4-10(7-18)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17)
InChIKeyKIIQVTCKGPCTPR-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]piperidine-3-carboxamide
CID 80655568
2-[(4-ethylazepan-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80656898
[1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-yl]methanol
CID 80657903
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80657678
(3R)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-3-carboxamide
CID 7353330
(3S)-1-[2-[[2-(2-hydroxyphenyl)-6-methylpyrimidin-4-yl]amino]ethyl]piperidine-3-carboxamide
CID 136803213
[2-(azocan-1-ylmethyl)-6-methylpyrimidin-4-yl]hydrazine
CID 80656209
1-[[6-(methylamino)-2-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 114082462
1-[2-amino-6-(methylamino)pyrimidin-4-yl]piperidine-3-carboxamide
CID 80756026
4-methyl-1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidin-4-ol
CID 81102789
1-[(3,4-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770442
ethyl 1-[[2-(methylamino)-4-pyridinyl]methyl]piperidine-3-carboxylate
CID 62470917

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide (CID 80656948) is 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide is CNc1cc(C)nc(CN2CCCC(C(N)=O)C2)n1.
What is the InChIKey of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
The InChIKey is KIIQVTCKGPCTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-9-6-11(15-2)17-12(16-9)8-18-5-3-4-10(7-18)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19)(H,15,16,17).
What are the key properties of 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide?
1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 80656948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).