4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine

C15H23ClN2O — CID 114248317

IUPAC4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC1CCCCCC1
InChIInChI=1S/C15H23ClN2O/c1-2-7-13-14(16)17-11-18-15(13)19-10-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3
InChIKeyGPYHIWGLWCZGNB-UHFFFAOYSA-N
MW282.81 g/mol
LogP4.43
Rot. Bonds5

About 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine

4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine (PubChem CID 114248317) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
PubChem CID114248317
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC1CCCCCC1
InChIInChI=1S/C15H23ClN2O/c1-2-7-13-14(16)17-11-18-15(13)19-10-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3
InChIKeyGPYHIWGLWCZGNB-UHFFFAOYSA-N
XLogP4.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine (CID 114248317) is 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1OCC1CCCCCC1.
What is the InChIKey of 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine?
The InChIKey is GPYHIWGLWCZGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-2-7-13-14(16)17-11-18-15(13)19-10-12-8-5-3-4-6-9-12/h11-12H,2-10H2,1H3.
What are the key properties of 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine?
4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine has a molecular weight of 282.81 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cycloheptylmethoxy)-5-propylpyrimidine is sourced from PubChem (CID 114248317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).