2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine

C18H25N3 — CID 80977836

IUPAC2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C18H25N3/c1-11-8-9-12(2)14(10-11)15-13(3)16(19-7)21-17(20-15)18(4,5)6/h8-10H,1-7H3,(H,19,20,21)
InChIKeyWPTVFLLVQHHZNI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.41
Rot. Bonds2

About 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine

2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine (PubChem CID 80977836) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
PubChem CID80977836
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine
SMILESCNc1nc(C(C)(C)C)nc(-c2cc(C)ccc2C)c1C
InChIInChI=1S/C18H25N3/c1-11-8-9-12(2)14(10-11)15-13(3)16(19-7)21-17(20-15)18(4,5)6/h8-10H,1-7H3,(H,19,20,21)
InChIKeyWPTVFLLVQHHZNI-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine (CID 80977836) is 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine is CNc1nc(C(C)(C)C)nc(-c2cc(C)ccc2C)c1C.
What is the InChIKey of 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
The InChIKey is WPTVFLLVQHHZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-11-8-9-12(2)14(10-11)15-13(3)16(19-7)21-17(20-15)18(4,5)6/h8-10H,1-7H3,(H,19,20,21).
What are the key properties of 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine?
2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine has a molecular weight of 283.42 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(2,5-dimethylphenyl)-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80977836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).