azane;4-chloro-6-ethenylpyrimidine

C6H8ClN3 — CID 175485359

IUPACazane;4-chloro-6-ethenylpyrimidine
SMILESC=Cc1cc(Cl)ncn1.N
InChIInChI=1S/C6H5ClN2.H3N/c1-2-5-3-6(7)9-4-8-5;/h2-4H,1H2;1H3
InChIKeyWSTBUSDXCBIECL-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.93
Rot. Bonds1

About azane;4-chloro-6-ethenylpyrimidine

azane;4-chloro-6-ethenylpyrimidine (PubChem CID 175485359) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is azane;4-chloro-6-ethenylpyrimidine.

Molecular Properties

Compound Nameazane;4-chloro-6-ethenylpyrimidine
PubChem CID175485359
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Nameazane;4-chloro-6-ethenylpyrimidine
SMILESC=Cc1cc(Cl)ncn1.N
InChIInChI=1S/C6H5ClN2.H3N/c1-2-5-3-6(7)9-4-8-5;/h2-4H,1H2;1H3
InChIKeyWSTBUSDXCBIECL-UHFFFAOYSA-N
XLogP1.93
TPSA60.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;4-chloro-6-ethenylpyrimidine?
The IUPAC name of azane;4-chloro-6-ethenylpyrimidine (CID 175485359) is azane;4-chloro-6-ethenylpyrimidine.
What is the SMILES notation for azane;4-chloro-6-ethenylpyrimidine?
The canonical SMILES for azane;4-chloro-6-ethenylpyrimidine is C=Cc1cc(Cl)ncn1.N.
What is the InChIKey of azane;4-chloro-6-ethenylpyrimidine?
The InChIKey is WSTBUSDXCBIECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2.H3N/c1-2-5-3-6(7)9-4-8-5;/h2-4H,1H2;1H3.
What are the key properties of azane;4-chloro-6-ethenylpyrimidine?
azane;4-chloro-6-ethenylpyrimidine has a molecular weight of 157.60 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-chloro-6-ethenylpyrimidine is sourced from PubChem (CID 175485359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).