4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine

C16H19ClN2O — CID 116745724

IUPAC4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine
SMILESCOC(c1ccccc1)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-10-13(17)19-15(18-12)14(20-4)11-8-6-5-7-9-11/h5-10,14H,1-4H3
InChIKeyHJJURMFIGRFZLV-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.16
Rot. Bonds3

About 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine

4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine (PubChem CID 116745724) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine
PubChem CID116745724
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine
SMILESCOC(c1ccccc1)c1nc(Cl)cc(C(C)(C)C)n1
InChIInChI=1S/C16H19ClN2O/c1-16(2,3)12-10-13(17)19-15(18-12)14(20-4)11-8-6-5-7-9-11/h5-10,14H,1-4H3
InChIKeyHJJURMFIGRFZLV-UHFFFAOYSA-N
XLogP4.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine?
The IUPAC name of 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine (CID 116745724) is 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine.
What is the SMILES notation for 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine?
The canonical SMILES for 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine is COC(c1ccccc1)c1nc(Cl)cc(C(C)(C)C)n1.
What is the InChIKey of 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine?
The InChIKey is HJJURMFIGRFZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-16(2,3)12-10-13(17)19-15(18-12)14(20-4)11-8-6-5-7-9-11/h5-10,14H,1-4H3.
What are the key properties of 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine?
4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-6-chloro-2-[methoxy(phenyl)methyl]pyrimidine is sourced from PubChem (CID 116745724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).