4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide

C12H19N5 — CID 112755799

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1N1CCC(C)(C)C1
InChIInChI=1S/C12H19N5/c1-8-15-6-9(10(13)14)11(16-8)17-5-4-12(2,3)7-17/h6H,4-5,7H2,1-3H3,(H3,13,14)
InChIKeyNLCFYITWJDKDKX-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.31
Rot. Bonds2

About 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide

4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide (PubChem CID 112755799) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
PubChem CID112755799
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide
SMILES[H]/N=C(\N)c1cnc(C)nc1N1CCC(C)(C)C1
InChIInChI=1S/C12H19N5/c1-8-15-6-9(10(13)14)11(16-8)17-5-4-12(2,3)7-17/h6H,4-5,7H2,1-3H3,(H3,13,14)
InChIKeyNLCFYITWJDKDKX-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
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'}

Analyze 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carboximidamide
CID 112755779
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-methylpyridine-3-carboximidamide
CID 81096579
4-(3,3-dimethylpyrrolidin-1-yl)-2,6-dimethylpyridine-3-carboximidamide
CID 81052131
2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 133349392
4-(3,3-dimethylpiperidin-1-yl)-2-methylpyrimidine-5-carbonitrile
CID 112755133
3-(4,4-dimethylazepan-1-yl)pyridazine-4-carboximidamide
CID 80513361
6-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboximidamide
CID 62937761
2-(4-hydroxy-4-methylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 81096071
3-(3,3-diethylpyrrolidin-1-yl)pyridazine-4-carboximidamide
CID 80513596
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
5-(4-hydroxy-4-methylpiperidin-1-yl)pyridine-2-carboximidamide
CID 113321263
4-piperidin-1-ylpyrimidine-5-carboximidamide
CID 83882552

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide (CID 112755799) is 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide is [H]/N=C(\N)c1cnc(C)nc1N1CCC(C)(C)C1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
The InChIKey is NLCFYITWJDKDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-15-6-9(10(13)14)11(16-8)17-5-4-12(2,3)7-17/h6H,4-5,7H2,1-3H3,(H3,13,14).
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide?
4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide has a molecular weight of 233.32 g/mol, XLogP of 1.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-2-methylpyrimidine-5-carboximidamide is sourced from PubChem (CID 112755799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).