6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine

C15H18ClN3O — CID 80862724

IUPAC6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C15H18ClN3O/c1-8-6-12(16)7-9(2)13(8)20-15-10(3)14(17-5)18-11(4)19-15/h6-7H,1-5H3,(H,17,18,19)
InChIKeyJPBKBHURDRRLRW-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.20
Rot. Bonds3

About 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine

6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (PubChem CID 80862724) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
PubChem CID80862724
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine
SMILESCNc1nc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C
InChIInChI=1S/C15H18ClN3O/c1-8-6-12(16)7-9(2)13(8)20-15-10(3)14(17-5)18-11(4)19-15/h6-7H,1-5H3,(H,17,18,19)
InChIKeyJPBKBHURDRRLRW-UHFFFAOYSA-N
XLogP4.20
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The IUPAC name of 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine (CID 80862724) is 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is CNc1nc(C)nc(Oc2c(C)cc(Cl)cc2C)c1C.
What is the InChIKey of 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
The InChIKey is JPBKBHURDRRLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-8-6-12(16)7-9(2)13(8)20-15-10(3)14(17-5)18-11(4)19-15/h6-7H,1-5H3,(H,17,18,19).
What are the key properties of 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine?
6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine has a molecular weight of 291.78 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloro-2,6-dimethylphenoxy)-N,2,5-trimethylpyrimidin-4-amine is sourced from PubChem (CID 80862724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).