2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine

C14H16ClIN2 — CID 113383404

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine
SMILESClc1nc(C2CC3CCC2C3)nc(C2CC2)c1I
InChIInChI=1S/C14H16ClIN2/c15-13-11(16)12(8-3-4-8)17-14(18-13)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2
InChIKeyIWDOFCKXKOARAB-UHFFFAOYSA-N
MW374.65 g/mol
LogP4.52
Rot. Bonds2

About 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine

2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine (PubChem CID 113383404) has the molecular formula C14H16ClIN2 and a molecular weight of 374.65 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine
PubChem CID113383404
Molecular FormulaC14H16ClIN2
Molecular Weight374.65 g/mol
Exact Mass374.00
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine
SMILESClc1nc(C2CC3CCC2C3)nc(C2CC2)c1I
InChIInChI=1S/C14H16ClIN2/c15-13-11(16)12(8-3-4-8)17-14(18-13)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2
InChIKeyIWDOFCKXKOARAB-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.65
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113383405
2-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-cyclopropylpyrimidin-4-amine
CID 113383603
2-(2-bicyclo[2.2.1]heptanyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739672
4-chloro-6-cyclopentyl-5-iodo-2-(thiolan-2-yl)pyrimidine
CID 113390294
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292
4-chloro-2,6-dicyclopropylpyrimidin-5-amine
CID 88811496
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
CID 66293287
4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66293293
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 113383589
4-chloro-2-[(2-chloro-6-fluorophenyl)methyl]-6-cyclopropyl-5-iodopyrimidine
CID 66293688
8-(2-bicyclo[2.2.1]heptanyl)-2-chloro-7H-purine
CID 19417931

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine (CID 113383404) is 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine is Clc1nc(C2CC3CCC2C3)nc(C2CC2)c1I.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine?
The InChIKey is IWDOFCKXKOARAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2/c15-13-11(16)12(8-3-4-8)17-14(18-13)10-6-7-1-2-9(10)5-7/h7-10H,1-6H2.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine?
2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine has a molecular weight of 374.65 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-4-chloro-6-cyclopropyl-5-iodopyrimidine is sourced from PubChem (CID 113383404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).