4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine

C13H23N5 — CID 83028090

IUPAC4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NN2C(C)CCCC2C)n1
InChIInChI=1S/C13H23N5/c1-8-6-5-7-9(2)18(8)17-13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyGLXUGISASWAHGJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.27
Rot. Bonds2

About 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine

4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine (PubChem CID 83028090) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine
PubChem CID83028090
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine
SMILESCc1nc(N)c(C)c(NN2C(C)CCCC2C)n1
InChIInChI=1S/C13H23N5/c1-8-6-5-7-9(2)18(8)17-13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3,(H3,14,15,16,17)
InChIKeyGLXUGISASWAHGJ-UHFFFAOYSA-N
XLogP2.27
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethyl-4-N-(2-methylcyclopentyl)pyrimidine-4,6-diamine
CID 80829505
6-chloro-2-cyclopropyl-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020281
2,5-dimethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80771822
2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 83027856
4-N-(2,6-dimethylpiperidin-1-yl)quinazoline-2,4-diamine
CID 83027690
2,5-dimethyl-4-N-(2-methylcyclopropyl)pyrimidine-4,6-diamine
CID 80826930
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766348
N-(2,6-dimethylpiperidin-1-yl)-3-methylquinoxalin-2-amine
CID 83026622
6-chloro-N-(2,6-dimethylpiperidin-1-yl)-5-methylpyrimidin-4-amine
CID 83020197
3,5-dichloro-N-(2,6-dimethylpiperidin-1-yl)-6-hydrazinylpyridin-2-amine
CID 102762504
4-N-(2,4-dimethylcyclohexyl)-2,5-dimethylpyrimidine-4,6-diamine
CID 80835086
5-N-(2,6-dimethylpiperidin-1-yl)pyridine-3,5-diamine
CID 104535638

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine (CID 83028090) is 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine is Cc1nc(N)c(C)c(NN2C(C)CCCC2C)n1.
What is the InChIKey of 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is GLXUGISASWAHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-8-6-5-7-9(2)18(8)17-13-10(3)12(14)15-11(4)16-13/h8-9H,5-7H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine?
4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-dimethylpiperidin-1-yl)-2,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 83028090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).