2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine

C10H14IN3 — CID 104844112

IUPAC2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
SMILESCCC1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C10H14IN3/c1-2-8-3-4-14(7-8)10-12-5-9(11)6-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyQMOFCAROZNJLHT-UHFFFAOYSA-N
MW303.15 g/mol
LogP2.32
Rot. Bonds2

About 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine

2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine (PubChem CID 104844112) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
PubChem CID104844112
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine
SMILESCCC1CCN(c2ncc(I)cn2)C1
InChIInChI=1S/C10H14IN3/c1-2-8-3-4-14(7-8)10-12-5-9(11)6-13-10/h5-6,8H,2-4,7H2,1H3
InChIKeyQMOFCAROZNJLHT-UHFFFAOYSA-N
XLogP2.32
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 52.32
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-iodopyrimidin-2-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 116648585
(3R)-1-(5-iodopyrimidin-2-yl)pyrrolidin-3-ol
CID 104843548
5-iodo-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine
CID 104843946
2-ethyl-4-(5-iodopyrimidin-2-yl)morpholine
CID 104840022
2-[1-(5-iodopyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116648613
1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-amine
CID 116648605
[1-(5-iodopyrimidin-2-yl)-4-methylpiperidin-3-yl]methanamine
CID 114961839
N-[[1-(5-iodopyrimidin-2-yl)piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 116649438
5-iodo-2-(3-methylpiperazin-1-yl)pyrimidine
CID 116648329
[2-(3-ethylpyrrolidin-1-yl)pyrimidin-4-yl]methanamine
CID 107542226
1-(5-iodopyrimidin-2-yl)-N,N-dimethylpiperidin-3-amine
CID 104843511
5-iodo-2-(3-phenylpyrrolidin-1-yl)pyrimidine
CID 104843440

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine?
The IUPAC name of 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine (CID 104844112) is 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine.
What is the SMILES notation for 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine?
The canonical SMILES for 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine is CCC1CCN(c2ncc(I)cn2)C1.
What is the InChIKey of 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine?
The InChIKey is QMOFCAROZNJLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c1-2-8-3-4-14(7-8)10-12-5-9(11)6-13-10/h5-6,8H,2-4,7H2,1H3.
What are the key properties of 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine?
2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine has a molecular weight of 303.15 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpyrrolidin-1-yl)-5-iodopyrimidine is sourced from PubChem (CID 104844112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).