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

C11H17ClN2O — CID 80949300

IUPAC2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
SMILESCC(C)Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-7(2)15-9-6-8(12)13-10(14-9)11(3,4)5/h6-7H,1-5H3
InChIKeyJECMAEBMUFRDPY-UHFFFAOYSA-N
MW228.72 g/mol
LogP3.21
Rot. Bonds2

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

2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine (PubChem CID 80949300) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
PubChem CID80949300
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine
SMILESCC(C)Oc1cc(Cl)nc(C(C)(C)C)n1
InChIInChI=1S/C11H17ClN2O/c1-7(2)15-9-6-8(12)13-10(14-9)11(3,4)5/h6-7H,1-5H3
InChIKeyJECMAEBMUFRDPY-UHFFFAOYSA-N
XLogP3.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-chloro-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidine
CID 80948282
2-tert-butyl-4-but-3-yn-2-yloxy-6-chloropyrimidine
CID 106794758
2-tert-butyl-4-chloro-6-(1-methoxypropan-2-yloxy)pyrimidine
CID 80948473
2-tert-butyl-4-chloro-6-(2-propan-2-yloxyphenyl)pyrimidine
CID 80946930
2-tert-butyl-4-chloro-6-(4-chlorophenoxy)pyrimidine
CID 80949039
5-(2-tert-butyl-6-chloropyrimidin-4-yl)oxypentan-1-ol
CID 114216648
2-tert-butyl-4-chloro-6-(2-fluorophenoxy)pyrimidine
CID 80948165
N,2-ditert-butyl-6-chloropyrimidin-4-amine
CID 80948203
4-[(4-bromophenyl)methoxy]-2-tert-butyl-6-chloropyrimidine
CID 82824807
4,6-dichloro-2-propan-2-yloxypyrimidine
CID 75132209
2-tert-butyl-6-chloro-N-(dicyclopropylmethyl)pyrimidin-4-amine
CID 80953223
2-tert-butyl-4-chloro-6-(5-fluoro-2-methylphenoxy)pyrimidine
CID 102981534

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine (CID 80949300) is 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine is CC(C)Oc1cc(Cl)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine?
The InChIKey is JECMAEBMUFRDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-7(2)15-9-6-8(12)13-10(14-9)11(3,4)5/h6-7H,1-5H3.
What are the key properties of 2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine?
2-tert-butyl-4-chloro-6-propan-2-yloxypyrimidine has a molecular weight of 228.72 g/mol, XLogP of 3.21, 2 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-propan-2-yloxypyrimidine is sourced from PubChem (CID 80949300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).