6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

C15H19N3 — CID 62202121

IUPAC6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H19N3/c1-5-12-8-13(16)18-15(17-12)14-10(3)6-9(2)7-11(14)4/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyBVDCHUPTPXGTOG-UHFFFAOYSA-N
MW241.34 g/mol
LogP3.21
Rot. Bonds2

About 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine

6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (PubChem CID 62202121) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
PubChem CID62202121
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine
SMILESCCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1
InChIInChI=1S/C15H19N3/c1-5-12-8-13(16)18-15(17-12)14-10(3)6-9(2)7-11(14)4/h6-8H,5H2,1-4H3,(H2,16,17,18)
InChIKeyBVDCHUPTPXGTOG-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine (CID 62202121) is 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is CCc1cc(N)nc(-c2c(C)cc(C)cc2C)n1.
What is the InChIKey of 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
The InChIKey is BVDCHUPTPXGTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-5-12-8-13(16)18-15(17-12)14-10(3)6-9(2)7-11(14)4/h6-8H,5H2,1-4H3,(H2,16,17,18).
What are the key properties of 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine?
6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine has a molecular weight of 241.34 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(2,4,6-trimethylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62202121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).