6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine

C18H25N3 — CID 63480321

IUPAC6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H25N3/c1-7-19-16-11-15(18(4,5)6)20-17(21-16)14-10-8-9-12(2)13(14)3/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyCROIUBPSNBZUIW-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.49
Rot. Bonds3

About 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine

6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 63480321) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
PubChem CID63480321
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C(C)(C)C)nc(-c2cccc(C)c2C)n1
InChIInChI=1S/C18H25N3/c1-7-19-16-11-15(18(4,5)6)20-17(21-16)14-10-8-9-12(2)13(14)3/h8-11H,7H2,1-6H3,(H,19,20,21)
InChIKeyCROIUBPSNBZUIW-UHFFFAOYSA-N
XLogP4.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine (CID 63480321) is 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(C(C)(C)C)nc(-c2cccc(C)c2C)n1.
What is the InChIKey of 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is CROIUBPSNBZUIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-7-19-16-11-15(18(4,5)6)20-17(21-16)14-10-8-9-12(2)13(14)3/h8-11H,7H2,1-6H3,(H,19,20,21).
What are the key properties of 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine?
6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63480321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).