4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine

C13H21ClN2O — CID 103283660

IUPAC4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC(C)CCC
InChIInChI=1S/C13H21ClN2O/c1-4-6-10(3)8-17-13-11(7-5-2)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3
InChIKeyZNNFFCTXRITLRW-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.90
Rot. Bonds7

About 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine

4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine (PubChem CID 103283660) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
PubChem CID103283660
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine
SMILESCCCc1c(Cl)ncnc1OCC(C)CCC
InChIInChI=1S/C13H21ClN2O/c1-4-6-10(3)8-17-13-11(7-5-2)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3
InChIKeyZNNFFCTXRITLRW-UHFFFAOYSA-N
XLogP3.90
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine?
The IUPAC name of 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine (CID 103283660) is 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine?
The canonical SMILES for 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine is CCCc1c(Cl)ncnc1OCC(C)CCC.
What is the InChIKey of 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine?
The InChIKey is ZNNFFCTXRITLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-6-10(3)8-17-13-11(7-5-2)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine?
4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine has a molecular weight of 256.78 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-methylpentoxy)-5-propylpyrimidine is sourced from PubChem (CID 103283660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).