2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

C13H21N5 — CID 107550246

IUPAC2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(CC)CC2)n1
InChIInChI=1S/C13H21N5/c1-3-10-4-6-18(7-5-10)13-16-9(2)8-11(17-13)12(14)15/h8,10H,3-7H2,1-2H3,(H3,14,15)
InChIKeyKRIGLZPNXQKUDS-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.70
Rot. Bonds3

About 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550246) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550246
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(CC)CC2)n1
InChIInChI=1S/C13H21N5/c1-3-10-4-6-18(7-5-10)13-16-9(2)8-11(17-13)12(14)15/h8,10H,3-7H2,1-2H3,(H3,14,15)
InChIKeyKRIGLZPNXQKUDS-UHFFFAOYSA-N
XLogP1.70
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 51.70
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

2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(3-ethylpyrrolidin-1-yl)-N'-hydroxy-6-methylpyrimidine-4-carboximidamide
CID 136906910
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
4-(4-ethylpiperidin-1-yl)-2-methylbenzenecarboximidamide
CID 81279437
6-methyl-2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]pyrimidine-4-carboximidamide
CID 107550498
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
2-[1-(4-carbamothioyl-6-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 107547028
3-chloro-4-(4-ethylpiperidin-1-yl)benzenecarboximidamide
CID 63088065
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (CID 107550246) is 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCC(CC)CC2)n1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is KRIGLZPNXQKUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-3-10-4-6-18(7-5-10)13-16-9(2)8-11(17-13)12(14)15/h8,10H,3-7H2,1-2H3,(H3,14,15).
What are the key properties of 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 247.35 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).