2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

C13H21N5 — CID 107550425

IUPAC2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H21N5/c1-8-4-5-18(10(3)6-8)13-16-9(2)7-11(17-13)12(14)15/h7-8,10H,4-6H2,1-3H3,(H3,14,15)
InChIKeyHBGGJXABWWRLFN-UHFFFAOYSA-N
MW247.35 g/mol
LogP1.69
Rot. Bonds2

About 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide

2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107550425) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
PubChem CID107550425
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N2CCC(C)CC2C)n1
InChIInChI=1S/C13H21N5/c1-8-4-5-18(10(3)6-8)13-16-9(2)7-11(17-13)12(14)15/h7-8,10H,4-6H2,1-3H3,(H3,14,15)
InChIKeyHBGGJXABWWRLFN-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

6-methyl-2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)pyrimidine-4-carboximidamide
CID 107550721
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
2-(4-tert-butylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550402
2-(4-ethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550246
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
6-methyl-2-[4-(trifluoromethyl)piperidin-1-yl]pyrimidine-4-carboximidamide
CID 107550566
2-(3-cyclopropylpyrazol-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550799
6-methyl-2-[methyl-(1-methylpiperidin-4-yl)amino]pyrimidine-4-carboximidamide
CID 107550091
2-(2,4-dimethylpiperidin-1-yl)quinoline-4-carboximidamide
CID 63884156
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(cyclopropylmethyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550536
6-methyl-2-(2,2,6-trimethylmorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550371

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide (CID 107550425) is 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N2CCC(C)CC2C)n1.
What is the InChIKey of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is HBGGJXABWWRLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-8-4-5-18(10(3)6-8)13-16-9(2)7-11(17-13)12(14)15/h7-8,10H,4-6H2,1-3H3,(H3,14,15).
What are the key properties of 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide?
2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-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 2-(2,4-dimethylpiperidin-1-yl)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107550425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).