4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine

C13H19ClN2O — CID 80974080

IUPAC4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OC2CCCC2)n1
InChIInChI=1S/C13H19ClN2O/c1-3-6-11-15-12(14)9(2)13(16-11)17-10-7-4-5-8-10/h10H,3-8H2,1-2H3
InChIKeyITYVTRHEDIHCTK-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.71
Rot. Bonds4

About 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine

4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine (PubChem CID 80974080) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
PubChem CID80974080
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
SMILESCCCc1nc(Cl)c(C)c(OC2CCCC2)n1
InChIInChI=1S/C13H19ClN2O/c1-3-6-11-15-12(14)9(2)13(16-11)17-10-7-4-5-8-10/h10H,3-8H2,1-2H3
InChIKeyITYVTRHEDIHCTK-UHFFFAOYSA-N
XLogP3.71
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine (CID 80974080) is 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine is CCCc1nc(Cl)c(C)c(OC2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine?
The InChIKey is ITYVTRHEDIHCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-6-11-15-12(14)9(2)13(16-11)17-10-7-4-5-8-10/h10H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine?
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine is sourced from PubChem (CID 80974080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).