6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine

C13H14ClN3O — CID 82303503

IUPAC6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(Cl)cc1-c1cc(N)nc(C)n1
InChIInChI=1S/C13H14ClN3O/c1-7-4-12(18-3)9(5-10(7)14)11-6-13(15)17-8(2)16-11/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyUVTXJPPSFVTASY-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.00
Rot. Bonds2

About 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine

6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine (PubChem CID 82303503) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
PubChem CID82303503
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
SMILESCOc1cc(C)c(Cl)cc1-c1cc(N)nc(C)n1
InChIInChI=1S/C13H14ClN3O/c1-7-4-12(18-3)9(5-10(7)14)11-6-13(15)17-8(2)16-11/h4-6H,1-3H3,(H2,15,16,17)
InChIKeyUVTXJPPSFVTASY-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine?
The IUPAC name of 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine (CID 82303503) is 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine is COc1cc(C)c(Cl)cc1-c1cc(N)nc(C)n1.
What is the InChIKey of 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine?
The InChIKey is UVTXJPPSFVTASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-7-4-12(18-3)9(5-10(7)14)11-6-13(15)17-8(2)16-11/h4-6H,1-3H3,(H2,15,16,17).
What are the key properties of 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine?
6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine has a molecular weight of 263.73 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 82303503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).