2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine

C13H19ClN2O2 — CID 80974231

IUPAC2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCOC1
InChIInChI=1S/C13H19ClN2O2/c1-8-10(14)15-12(13(2,3)4)16-11(8)18-9-5-6-17-7-9/h9H,5-7H2,1-4H3
InChIKeyDKCYVDLQNWDZRR-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.90
Rot. Bonds2

About 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine

2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine (PubChem CID 80974231) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
PubChem CID80974231
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Name2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine
SMILESCc1c(Cl)nc(C(C)(C)C)nc1OC1CCOC1
InChIInChI=1S/C13H19ClN2O2/c1-8-10(14)15-12(13(2,3)4)16-11(8)18-9-5-6-17-7-9/h9H,5-7H2,1-4H3
InChIKeyDKCYVDLQNWDZRR-UHFFFAOYSA-N
XLogP2.90
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine (CID 80974231) is 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine is Cc1c(Cl)nc(C(C)(C)C)nc1OC1CCOC1.
What is the InChIKey of 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine?
The InChIKey is DKCYVDLQNWDZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-8-10(14)15-12(13(2,3)4)16-11(8)18-9-5-6-17-7-9/h9H,5-7H2,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine?
2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine has a molecular weight of 270.76 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-5-methyl-6-(oxolan-3-yloxy)pyrimidine is sourced from PubChem (CID 80974231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).