4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide

C13H21N5 — CID 112755779

IUPAC4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1N1CCCC(C)C1C
InChIInChI=1S/C13H21N5/c1-8-5-4-6-18(9(8)2)13-11(12(14)15)7-16-10(3)17-13/h7-9H,4-6H2,1-3H3,(H3,14,15)
InChIKeyXNAHYKTZAFYKJS-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.69
Rot. Bonds2

About 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide

4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide (PubChem CID 112755779) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide
PubChem CID112755779
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1N1CCCC(C)C1C
InChIInChI=1S/C13H21N5/c1-8-5-4-6-18(9(8)2)13-11(12(14)15)7-16-10(3)17-13/h7-9H,4-6H2,1-3H3,(H3,14,15)
InChIKeyXNAHYKTZAFYKJS-UHFFFAOYSA-N
XLogP1.69
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
CID 112755799
4-(2,3-dimethylpiperidin-1-yl)pyridine-2-carboximidamide
CID 55156286
4-(2,3-dimethylpiperidin-1-yl)-3-methylbenzenecarboximidamide
CID 62123919
2-methyl-4-(3-methylcyclohexyl)oxypyrimidine-5-carboximidamide
CID 112755848
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-methylpyridine-3-carboximidamide
CID 82750589
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-methylpyridine-3-carboximidamide
CID 102726609
2-methyl-6-(2-methylpyrrolidin-1-yl)pyridine-4-carboximidamide
CID 114768904
2-(2-ethylpyrrolidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877395
[2-(2,3-dimethylpiperidin-1-yl)-6-methyl-3-pyridinyl]methanamine
CID 55040320
1,3-dimethyl-5-(2-methylpyrrolidin-1-yl)pyrazole-4-carboximidamide
CID 63751697
2-(3,4-dimethylpyrrolidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 79188625
2-(2,3-dimethylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62125386

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The IUPAC name of 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide (CID 112755779) is 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide.
What is the SMILES notation for 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The canonical SMILES for 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)nc1N1CCCC(C)C1C.
What is the InChIKey of 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The InChIKey is XNAHYKTZAFYKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-8-5-4-6-18(9(8)2)13-11(12(14)15)7-16-10(3)17-13/h7-9H,4-6H2,1-3H3,(H3,14,15).
What are the key properties of 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide is sourced from PubChem (CID 112755779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).