5-chloro-2-(2,2-dimethylpropoxy)pyrimidine

C9H13ClN2O — CID 169320238

IUPAC5-chloro-2-(2,2-dimethylpropoxy)pyrimidine
SMILESCC(C)(C)COc1ncc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3
InChIKeyPSDFROWRPNBWRB-UHFFFAOYSA-N
MW200.67 g/mol
LogP2.55
Rot. Bonds2

About 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine

5-chloro-2-(2,2-dimethylpropoxy)pyrimidine (PubChem CID 169320238) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(2,2-dimethylpropoxy)pyrimidine
PubChem CID169320238
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Name5-chloro-2-(2,2-dimethylpropoxy)pyrimidine
SMILESCC(C)(C)COc1ncc(Cl)cn1
InChIInChI=1S/C9H13ClN2O/c1-9(2,3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3
InChIKeyPSDFROWRPNBWRB-UHFFFAOYSA-N
XLogP2.55
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine?
The IUPAC name of 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine (CID 169320238) is 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine.
What is the SMILES notation for 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine?
The canonical SMILES for 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine is CC(C)(C)COc1ncc(Cl)cn1.
What is the InChIKey of 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine?
The InChIKey is PSDFROWRPNBWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-9(2,3)6-13-8-11-4-7(10)5-12-8/h4-5H,6H2,1-3H3.
What are the key properties of 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine?
5-chloro-2-(2,2-dimethylpropoxy)pyrimidine has a molecular weight of 200.67 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2,2-dimethylpropoxy)pyrimidine is sourced from PubChem (CID 169320238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).