4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine

C10H15ClN2O — CID 80972982

IUPAC4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
SMILESCCc1nc(Cl)c(C)c(OC(C)C)n1
InChIInChI=1S/C10H15ClN2O/c1-5-8-12-9(11)7(4)10(13-8)14-6(2)3/h6H,5H2,1-4H3
InChIKeyWJAFGWBUTRHNRQ-UHFFFAOYSA-N
MW214.70 g/mol
LogP2.79
Rot. Bonds3

About 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine

4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine (PubChem CID 80972982) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
PubChem CID80972982
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine
SMILESCCc1nc(Cl)c(C)c(OC(C)C)n1
InChIInChI=1S/C10H15ClN2O/c1-5-8-12-9(11)7(4)10(13-8)14-6(2)3/h6H,5H2,1-4H3
InChIKeyWJAFGWBUTRHNRQ-UHFFFAOYSA-N
XLogP2.79
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine (CID 80972982) is 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine is CCc1nc(Cl)c(C)c(OC(C)C)n1.
What is the InChIKey of 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine?
The InChIKey is WJAFGWBUTRHNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2O/c1-5-8-12-9(11)7(4)10(13-8)14-6(2)3/h6H,5H2,1-4H3.
What are the key properties of 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine?
4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine has a molecular weight of 214.70 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 80972982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).