2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine

C11H16IN3 — CID 131010619

IUPAC2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
SMILESCCC1(C)CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C11H16IN3/c1-3-11(2)4-5-15(8-11)10-13-6-9(12)7-14-10/h6-7H,3-5,8H2,1-2H3
InChIKeyREWREOMKBFPEBY-UHFFFAOYSA-N
MW317.17 g/mol
LogP2.71
Rot. Bonds2

About 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine

2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine (PubChem CID 131010619) has the molecular formula C11H16IN3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
PubChem CID131010619
Molecular FormulaC11H16IN3
Molecular Weight317.17 g/mol
Exact Mass317.04
IUPAC Name2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine
SMILESCCC1(C)CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C11H16IN3/c1-3-11(2)4-5-15(8-11)10-13-6-9(12)7-14-10/h6-7H,3-5,8H2,1-2H3
InChIKeyREWREOMKBFPEBY-UHFFFAOYSA-N
XLogP2.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(5-bromopyrimidin-2-yl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106321701
2-[3-(chloromethyl)-3-methylpyrrolidin-1-yl]pyrimidine
CID 130934211
[2-(4-ethyl-4-methylpiperidin-1-yl)-4-methylpyrimidin-5-yl]methanol
CID 83184547
2-(4-ethyl-4-methylpiperidin-1-yl)-5-iodoaniline
CID 66079728
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
CID 104844112
5-chloro-2-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine
CID 130192282
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-(4,4-diethylpiperidin-1-yl)pyrimidin-5-amine
CID 63160997
5-(2-chlorophenyl)-2-(3-ethyl-3-methylpyrrolidin-1-yl)-1,3-thiazole
CID 160877969
4-(4-ethyl-4-methylpiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 114214388
3-chloro-5-(chloromethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)pyridine
CID 63159235
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine?
The IUPAC name of 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine (CID 131010619) is 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine.
What is the SMILES notation for 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine?
The canonical SMILES for 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine is CCC1(C)CCN(c2ncc(I)cn2)C1.
What is the InChIKey of 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine?
The InChIKey is REWREOMKBFPEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3/c1-3-11(2)4-5-15(8-11)10-13-6-9(12)7-14-10/h6-7H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine?
2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine has a molecular weight of 317.17 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-3-methylpyrrolidin-1-yl)-5-iodopyrimidine is sourced from PubChem (CID 131010619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).