2-tert-butyl-4-chloro-6-cyclopropylpyrimidine

C11H15ClN2 — CID 63355304

IUPAC2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10-13-8(7-4-5-7)6-9(12)14-10/h6-7H,4-5H2,1-3H3
InChIKeyVOCIYBJAFAZPFF-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.30
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine

2-tert-butyl-4-chloro-6-cyclopropylpyrimidine (PubChem CID 63355304) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
PubChem CID63355304
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-tert-butyl-4-chloro-6-cyclopropylpyrimidine
SMILESCC(C)(C)c1nc(Cl)cc(C2CC2)n1
InChIInChI=1S/C11H15ClN2/c1-11(2,3)10-13-8(7-4-5-7)6-9(12)14-10/h6-7H,4-5H2,1-3H3
InChIKeyVOCIYBJAFAZPFF-UHFFFAOYSA-N
XLogP3.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine (CID 63355304) is 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine is CC(C)(C)c1nc(Cl)cc(C2CC2)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine?
The InChIKey is VOCIYBJAFAZPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c1-11(2,3)10-13-8(7-4-5-7)6-9(12)14-10/h6-7H,4-5H2,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine?
2-tert-butyl-4-chloro-6-cyclopropylpyrimidine has a molecular weight of 210.71 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-cyclopropylpyrimidine is sourced from PubChem (CID 63355304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).