4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine

C13H12ClIN4 — CID 113390292

IUPAC4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
SMILESClc1nc(-c2ncccn2)nc(C2CCCC2)c1I
InChIInChI=1S/C13H12ClIN4/c14-11-9(15)10(8-4-1-2-5-8)18-13(19-11)12-16-6-3-7-17-12/h3,6-8H,1-2,4-5H2
InChIKeyQNGMTEXFRLGMCI-UHFFFAOYSA-N
MW386.62 g/mol
LogP3.85
Rot. Bonds2

About 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine

4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine (PubChem CID 113390292) has the molecular formula C13H12ClIN4 and a molecular weight of 386.62 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
PubChem CID113390292
Molecular FormulaC13H12ClIN4
Molecular Weight386.62 g/mol
Exact Mass385.98
IUPAC Name4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
SMILESClc1nc(-c2ncccn2)nc(C2CCCC2)c1I
InChIInChI=1S/C13H12ClIN4/c14-11-9(15)10(8-4-1-2-5-8)18-13(19-11)12-16-6-3-7-17-12/h3,6-8H,1-2,4-5H2
InChIKeyQNGMTEXFRLGMCI-UHFFFAOYSA-N
XLogP3.85
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 53.85
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

4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
CID 103443032
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
CID 66312890
4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
CID 136730066
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66293293
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
CID 66293487
4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
CID 66292753
4-tert-butyl-6-chloro-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 66294823
4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine
CID 66312889
4-chloro-6-cyclopentyl-5-iodo-2-(thiolan-2-yl)pyrimidine
CID 113390294
4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
CID 66293287

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine (CID 113390292) is 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine is Clc1nc(-c2ncccn2)nc(C2CCCC2)c1I.
What is the InChIKey of 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine?
The InChIKey is QNGMTEXFRLGMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClIN4/c14-11-9(15)10(8-4-1-2-5-8)18-13(19-11)12-16-6-3-7-17-12/h3,6-8H,1-2,4-5H2.
What are the key properties of 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine?
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine has a molecular weight of 386.62 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 113390292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).