2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine

C8H9ClIN3 — CID 130116427

IUPAC2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine
SMILESClc1nc(I)cc(N2CCCC2)n1
InChIInChI=1S/C8H9ClIN3/c9-8-11-6(10)5-7(12-8)13-3-1-2-4-13/h5H,1-4H2
InChIKeyIWDSKMOCVGCMCB-UHFFFAOYSA-N
MW309.54 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine

2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine (PubChem CID 130116427) has the molecular formula C8H9ClIN3 and a molecular weight of 309.54 g/mol. Its IUPAC name is 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine
PubChem CID130116427
Molecular FormulaC8H9ClIN3
Molecular Weight309.54 g/mol
Exact Mass308.95
IUPAC Name2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine
SMILESClc1nc(I)cc(N2CCCC2)n1
InChIInChI=1S/C8H9ClIN3/c9-8-11-6(10)5-7(12-8)13-3-1-2-4-13/h5H,1-4H2
InChIKeyIWDSKMOCVGCMCB-UHFFFAOYSA-N
XLogP2.33
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.54
LogP ≤ 52.33
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

2-chloro-4-ethyl-6-pyrrolidin-1-ylpyrimidine
CID 126971307
(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)methanol
CID 58336174
2-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)propan-2-ol
CID 87522921
1-(6-chloro-2-methylpyrimidin-4-yl)azepane
CID 62480915
2-chloro-N-cyclohexyl-N-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 166460267
4-[4-(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,6-dipyrrolidin-1-ylpyrimidine
CID 57355688
2-fluoro-3,4-diiodo-6-pyrrolidin-1-ylpyridine
CID 46318169
2,4-dichloro-6-pyrrolidin-1-ylpyrido[3,4-d]pyrimidine
CID 170156033
tert-butyl 4-(2-chloro-6-pyrrolidin-1-ylpyrimidin-4-yl)-1,4-diazepane-1-carboxylate
CID 166460288
1-(2,6-dichloropyrimidin-4-yl)piperidin-4-ol
CID 130569673
4-chloro-6-pyrrolidin-1-ylpyrimidine-2-carbonitrile
CID 175640213
4-chloro-N-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 123974719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine (CID 130116427) is 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine is Clc1nc(I)cc(N2CCCC2)n1.
What is the InChIKey of 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is IWDSKMOCVGCMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClIN3/c9-8-11-6(10)5-7(12-8)13-3-1-2-4-13/h5H,1-4H2.
What are the key properties of 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine?
2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 309.54 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 130116427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).