2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine

C15H19N3 — CID 55096243

IUPAC2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Cc2nc(C)c(C)c(N)n2)c1
InChIInChI=1S/C15H19N3/c1-9-5-10(2)7-13(6-9)8-14-17-12(4)11(3)15(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyHYEGXNAHAHBWLW-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.88
Rot. Bonds2

About 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine

2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine (PubChem CID 55096243) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
PubChem CID55096243
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine
SMILESCc1cc(C)cc(Cc2nc(C)c(C)c(N)n2)c1
InChIInChI=1S/C15H19N3/c1-9-5-10(2)7-13(6-9)8-14-17-12(4)11(3)15(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18)
InChIKeyHYEGXNAHAHBWLW-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine (CID 55096243) is 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine is Cc1cc(C)cc(Cc2nc(C)c(C)c(N)n2)c1.
What is the InChIKey of 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
The InChIKey is HYEGXNAHAHBWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-9-5-10(2)7-13(6-9)8-14-17-12(4)11(3)15(16)18-14/h5-7H,8H2,1-4H3,(H2,16,17,18).
What are the key properties of 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine?
2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylphenyl)methyl]-5,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55096243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).