2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide

C12H19N5 — CID 107550685

IUPAC2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(C)C(C)C2)n1
InChIInChI=1S/C12H19N5/c1-8-4-6-17(7-9(8)2)12-15-5-3-10(16-12)11(13)14/h3,5,8-9H,4,6-7H2,1-2H3,(H3,13,14)
InChIKeyBQVWNGGWGQHNAE-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.24
Rot. Bonds2

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

2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550685) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550685
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(C)C(C)C2)n1
InChIInChI=1S/C12H19N5/c1-8-4-6-17(7-9(8)2)12-15-5-3-10(16-12)11(13)14/h3,5,8-9H,4,6-7H2,1-2H3,(H3,13,14)
InChIKeyBQVWNGGWGQHNAE-UHFFFAOYSA-N
XLogP1.24
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.24
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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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide (CID 107550685) is 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCC(C)C(C)C2)n1.
What is the InChIKey of 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is BQVWNGGWGQHNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-4-6-17(7-9(8)2)12-15-5-3-10(16-12)11(13)14/h3,5,8-9H,4,6-7H2,1-2H3,(H3,13,14).
What are the key properties of 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide?
2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).