6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine

C16H21N3 — CID 63562088

IUPAC6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(CC)c(C)c(NC)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-12-7-9-13(10-8-12)16-18-14(6-2)11(3)15(17-4)19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyDDTNUPHKUPOJNN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.62
Rot. Bonds4

About 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine

6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 63562088) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID63562088
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCCc1ccc(-c2nc(CC)c(C)c(NC)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-12-7-9-13(10-8-12)16-18-14(6-2)11(3)15(17-4)19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyDDTNUPHKUPOJNN-UHFFFAOYSA-N
XLogP3.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine (CID 63562088) is 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine is CCc1ccc(-c2nc(CC)c(C)c(NC)n2)cc1.
What is the InChIKey of 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is DDTNUPHKUPOJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-12-7-9-13(10-8-12)16-18-14(6-2)11(3)15(17-4)19-16/h7-10H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine?
6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 63562088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).