1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone

C13H19IN4O — CID 95804170

IUPAC1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1I
InChIInChI=1S/C13H19IN4O/c1-9(19)18-7-5-4-6-11(18)12-10(14)8-15-13(16-12)17(2)3/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHTUFDDVNHKMNDD-LLVKDONJSA-N
MW374.23 g/mol
LogP2.22
Rot. Bonds2

About 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone

1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 95804170) has the molecular formula C13H19IN4O and a molecular weight of 374.23 g/mol. Its IUPAC name is 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID95804170
Molecular FormulaC13H19IN4O
Molecular Weight374.23 g/mol
Exact Mass374.06
IUPAC Name1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1I
InChIInChI=1S/C13H19IN4O/c1-9(19)18-7-5-4-6-11(18)12-10(14)8-15-13(16-12)17(2)3/h8,11H,4-7H2,1-3H3/t11-/m1/s1
InChIKeyHTUFDDVNHKMNDD-LLVKDONJSA-N
XLogP2.22
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-iodo-N,N-dimethyl-4-(1-methylsulfonylpiperidin-2-yl)pyrimidin-2-amine
CID 66509629
5-iodo-N,N-dimethyl-4-[(2S)-1-methylsulfonylpiperidin-2-yl]pyrimidin-2-amine
CID 95804184
5-iodo-N,N-dimethyl-4-(1-propan-2-ylpiperidin-2-yl)pyrimidin-2-amine
CID 66509614
1-[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 95730771
cyclopropyl-[2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 110218620
1-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 110266304
cyclohexyl-[(2S)-2-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 92554390
[2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110218333
2-cyclopentyl-1-[(2S)-2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92617854
2-cyclohexyl-1-[(2S)-2-[2-(dimethylamino)-5-(3,4-dimethyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 92596918
1-[2-[2-(dimethylamino)-5-(3-methyl-4-pyridinyl)pyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 110245839
[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 155983127

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone (CID 95804170) is 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1I.
What is the InChIKey of 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is HTUFDDVNHKMNDD-LLVKDONJSA-N. The full InChI is InChI=1S/C13H19IN4O/c1-9(19)18-7-5-4-6-11(18)12-10(14)8-15-13(16-12)17(2)3/h8,11H,4-7H2,1-3H3/t11-/m1/s1.
What are the key properties of 1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone?
1-[(2R)-2-[2-(dimethylamino)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 374.23 g/mol, XLogP of 2.22, 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)-5-iodopyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95804170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).