2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide

C12H19N5O — CID 107550754

IUPAC2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C12H19N5O/c1-12(18-2)5-3-7-17(8-12)11-15-6-4-9(16-11)10(13)14/h4,6H,3,5,7-8H2,1-2H3,(H3,13,14)
InChIKeyCIORFOWCEZDLLH-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.77
Rot. Bonds3

About 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide

2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide (PubChem CID 107550754) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
PubChem CID107550754
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCCC(C)(OC)C2)n1
InChIInChI=1S/C12H19N5O/c1-12(18-2)5-3-7-17(8-12)11-15-6-4-9(16-11)10(13)14/h4,6H,3,5,7-8H2,1-2H3,(H3,13,14)
InChIKeyCIORFOWCEZDLLH-UHFFFAOYSA-N
XLogP0.77
TPSA88.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide (CID 107550754) is 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCCC(C)(OC)C2)n1.
What is the InChIKey of 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
The InChIKey is CIORFOWCEZDLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-12(18-2)5-3-7-17(8-12)11-15-6-4-9(16-11)10(13)14/h4,6H,3,5,7-8H2,1-2H3,(H3,13,14).
What are the key properties of 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide?
2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide has a molecular weight of 249.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).