2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine

C14H21ClN2O — CID 106201311

IUPAC2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OCCC1CC1
InChIInChI=1S/C14H21ClN2O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-8-7-10-5-6-10/h10H,5-8H2,1-4H3
InChIKeyFPLQMJJBLDWLIQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.91
Rot. Bonds4

About 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine

2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine (PubChem CID 106201311) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
PubChem CID106201311
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OCCC1CC1
InChIInChI=1S/C14H21ClN2O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-8-7-10-5-6-10/h10H,5-8H2,1-4H3
InChIKeyFPLQMJJBLDWLIQ-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine (CID 106201311) is 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1OCCC1CC1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine?
The InChIKey is FPLQMJJBLDWLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-9-11(15)16-13(14(2,3)4)17-12(9)18-8-7-10-5-6-10/h10H,5-8H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine?
2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(2-cyclopropylethoxy)-5-methylpyrimidine is sourced from PubChem (CID 106201311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).