5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

C17H23N3 — CID 80976141

IUPAC5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(-c2nc(C(C)C)nc(N)c2C)cc1C
InChIInChI=1S/C17H23N3/c1-9(2)17-19-15(13(6)16(18)20-17)14-8-11(4)10(3)7-12(14)5/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyPXXXKNHYXQAYPM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.08
Rot. Bonds2

About 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine

5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (PubChem CID 80976141) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
PubChem CID80976141
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine
SMILESCc1cc(C)c(-c2nc(C(C)C)nc(N)c2C)cc1C
InChIInChI=1S/C17H23N3/c1-9(2)17-19-15(13(6)16(18)20-17)14-8-11(4)10(3)7-12(14)5/h7-9H,1-6H3,(H2,18,19,20)
InChIKeyPXXXKNHYXQAYPM-UHFFFAOYSA-N
XLogP4.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine (CID 80976141) is 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is Cc1cc(C)c(-c2nc(C(C)C)nc(N)c2C)cc1C.
What is the InChIKey of 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is PXXXKNHYXQAYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-9(2)17-19-15(13(6)16(18)20-17)14-8-11(4)10(3)7-12(14)5/h7-9H,1-6H3,(H2,18,19,20).
What are the key properties of 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine?
5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yl-6-(2,4,5-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 80976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).