2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

C15H25N5 — CID 107550402

IUPAC2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N5/c1-10-9-12(13(16)17)19-14(18-10)20-7-5-11(6-8-20)15(2,3)4/h9,11H,5-8H2,1-4H3,(H3,16,17)
InChIKeyIMTXZYUWODGNCG-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.33
Rot. Bonds2

About 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550402) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550402
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C(C)(C)C)CC2)n1
InChIInChI=1S/C15H25N5/c1-10-9-12(13(16)17)19-14(18-10)20-7-5-11(6-8-20)15(2,3)4/h9,11H,5-8H2,1-4H3,(H3,16,17)
InChIKeyIMTXZYUWODGNCG-UHFFFAOYSA-N
XLogP2.33
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.33
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

6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carbothioamide
CID 107547245
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
CID 107550546
2-(3-tert-butylpyrrolidin-1-yl)-6-methylpyrimidine-4-carboxylic acid
CID 107554334
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550425
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (CID 107550402) is 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCC(C(C)(C)C)CC2)n1.
What is the InChIKey of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is IMTXZYUWODGNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-10-9-12(13(16)17)19-14(18-10)20-7-5-11(6-8-20)15(2,3)4/h9,11H,5-8H2,1-4H3,(H3,16,17).
What are the key properties of 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 275.40 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).