5-chloro-2-(2-methylpropoxy)pyrimidine

C8H11ClN2O — CID 170361357

IUPAC5-chloro-2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3
InChIKeyDJMHDYXAQFRXEL-UHFFFAOYSA-N
MW186.64 g/mol
LogP2.16
Rot. Bonds3

About 5-chloro-2-(2-methylpropoxy)pyrimidine

5-chloro-2-(2-methylpropoxy)pyrimidine (PubChem CID 170361357) has the molecular formula C8H11ClN2O and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-chloro-2-(2-methylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(2-methylpropoxy)pyrimidine
PubChem CID170361357
Molecular FormulaC8H11ClN2O
Molecular Weight186.64 g/mol
Exact Mass186.06
IUPAC Name5-chloro-2-(2-methylpropoxy)pyrimidine
SMILESCC(C)COc1ncc(Cl)cn1
InChIInChI=1S/C8H11ClN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3
InChIKeyDJMHDYXAQFRXEL-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-methylpropoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(2-methylpropoxy)pyrimidine (CID 170361357) is 5-chloro-2-(2-methylpropoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(2-methylpropoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(2-methylpropoxy)pyrimidine is CC(C)COc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2-methylpropoxy)pyrimidine?
The InChIKey is DJMHDYXAQFRXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN2O/c1-6(2)5-12-8-10-3-7(9)4-11-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-chloro-2-(2-methylpropoxy)pyrimidine?
5-chloro-2-(2-methylpropoxy)pyrimidine has a molecular weight of 186.64 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-methylpropoxy)pyrimidine is sourced from PubChem (CID 170361357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).