2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide

C11H18N6 — CID 107550482

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H18N6/c1-16(2)8-4-6-17(7-8)11-14-5-3-9(15-11)10(12)13/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13)
InChIKeyMEYPCGAYTAMWEL-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.10
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide

2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide (PubChem CID 107550482) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
PubChem CID107550482
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N2CCC(N(C)C)C2)n1
InChIInChI=1S/C11H18N6/c1-16(2)8-4-6-17(7-8)11-14-5-3-9(15-11)10(12)13/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13)
InChIKeyMEYPCGAYTAMWEL-UHFFFAOYSA-N
XLogP-0.10
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.10
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'}

Analyze 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-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

2-(3,4-dimethylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550685
2-(3-methoxypyrrolidin-1-yl)pyrimidine-4-carboximidamide
CID 107550740
2-(4-hydroxy-4-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550631
2-(4-tert-butylazepan-1-yl)pyrimidine-4-carboximidamide
CID 107550546
2-(3-ethoxypiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550313
N,N-dimethyl-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-amine
CID 123144666
4-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80828220
2-(3-methylsulfonylthiomorpholin-4-yl)pyrimidine-4-carboximidamide
CID 107550579
2-(3-methoxy-3-methylpiperidin-1-yl)pyrimidine-4-carboximidamide
CID 107550754
2-[(3R)-3-hydroxypyrrolidin-1-yl]pyrimidine-4-carboxamide
CID 123733519
2-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidine-4-carboximidamide
CID 107550523
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]pyrimidine-4-carboximidamide
CID 107550636

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide (CID 107550482) is 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N2CCC(N(C)C)C2)n1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide?
The InChIKey is MEYPCGAYTAMWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-16(2)8-4-6-17(7-8)11-14-5-3-9(15-11)10(12)13/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide?
2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide has a molecular weight of 234.31 g/mol, XLogP of -0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]pyrimidine-4-carboximidamide is sourced from PubChem (CID 107550482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).