1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C12H18N4O — CID 95730771

IUPAC1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)n1
InChIInChI=1S/C12H18N4O/c1-9(17)16-8-4-5-11(16)10-6-7-13-12(14-10)15(2)3/h6-7,11H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyILOQCGUXKWCQNE-LLVKDONJSA-N
MW234.30 g/mol
LogP1.23
Rot. Bonds2

About 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 95730771) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID95730771
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)n1
InChIInChI=1S/C12H18N4O/c1-9(17)16-8-4-5-11(16)10-6-7-13-12(14-10)15(2)3/h6-7,11H,4-5,8H2,1-3H3/t11-/m1/s1
InChIKeyILOQCGUXKWCQNE-LLVKDONJSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone 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

1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone
CID 95804170
6-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816016
6-[(2R)-1-acetylpyrrolidin-2-yl]-N-methylpyridine-2-carboxamide
CID 95816015
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 95815928
1-[2-[2-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 110267168
1-[2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110265055
1-(2-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 73438981
3-[6-(1-acetylpyrrolidin-2-yl)-2-pyridinyl]-N-methylpropanamide
CID 110269727
1-[2-(3-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102539024
1-[2-(2-aminopyrimidin-4-yl)piperidin-1-yl]-2-methoxyethanone
CID 110269315
1-[(2S)-2-[5-(1H-pyrazol-5-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 124994513

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 95730771) is 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC[C@@H]1c1ccnc(N(C)C)n1.
What is the InChIKey of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is ILOQCGUXKWCQNE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9(17)16-8-4-5-11(16)10-6-7-13-12(14-10)15(2)3/h6-7,11H,4-5,8H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95730771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).