4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine

C15H17ClN4 — CID 141112844

IUPAC4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine
SMILESClc1cc(C2CCCCCC2)nc(-c2cnccn2)n1
InChIInChI=1S/C15H17ClN4/c16-14-9-12(11-5-3-1-2-4-6-11)19-15(20-14)13-10-17-7-8-18-13/h7-11H,1-6H2
InChIKeyRYKNKWLFANQUBS-UHFFFAOYSA-N
MW288.78 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine

4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine (PubChem CID 141112844) has the molecular formula C15H17ClN4 and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine
PubChem CID141112844
Molecular FormulaC15H17ClN4
Molecular Weight288.78 g/mol
Exact Mass288.11
IUPAC Name4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine
SMILESClc1cc(C2CCCCCC2)nc(-c2cnccn2)n1
InChIInChI=1S/C15H17ClN4/c16-14-9-12(11-5-3-1-2-4-6-11)19-15(20-14)13-10-17-7-8-18-13/h7-11H,1-6H2
InChIKeyRYKNKWLFANQUBS-UHFFFAOYSA-N
XLogP4.02
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine (CID 141112844) is 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine is Clc1cc(C2CCCCCC2)nc(-c2cnccn2)n1.
What is the InChIKey of 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine?
The InChIKey is RYKNKWLFANQUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4/c16-14-9-12(11-5-3-1-2-4-6-11)19-15(20-14)13-10-17-7-8-18-13/h7-11H,1-6H2.
What are the key properties of 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine?
4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine has a molecular weight of 288.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cycloheptyl-2-pyrazin-2-ylpyrimidine is sourced from PubChem (CID 141112844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).