4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine

C11H17ClN2 — CID 43557555

IUPAC4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2/c1-7(2)10-13-8(11(3,4)5)6-9(12)14-10/h6-7H,1-5H3
InChIKeyNQFPKUXHCPXSJB-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.55
Rot. Bonds1

About 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine

4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine (PubChem CID 43557555) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine
PubChem CID43557555
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine
SMILESCC(C)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2/c1-7(2)10-13-8(11(3,4)5)6-9(12)14-10/h6-7H,1-5H3
InChIKeyNQFPKUXHCPXSJB-UHFFFAOYSA-N
XLogP3.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine (CID 43557555) is 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine is CC(C)c1nc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine?
The InChIKey is NQFPKUXHCPXSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-7(2)10-13-8(11(3,4)5)6-9(12)14-10/h6-7H,1-5H3.
What are the key properties of 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine?
4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine has a molecular weight of 212.72 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-propan-2-ylpyrimidine is sourced from PubChem (CID 43557555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).