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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Related Compounds

2-tert-butyl-6-(2,5-dimethylphenyl)-5-methylpyrimidin-4-amine
CID 80975360
2-tert-butyl-N,5-dimethyl-6-(5-methyl-3-pyridinyl)pyrimidin-4-amine
CID 115375469
6-(3-bromo-2-fluorophenyl)-2-tert-butyl-N,5-dimethylpyrimidin-4-amine
CID 106646829
2-tert-butyl-6-(4-methoxyphenyl)-N,5-dimethylpyrimidin-4-amine
CID 80978583
2-tert-butyl-N,5-dimethyl-6-pyrimidin-5-ylpyrimidin-4-amine
CID 80974807
2-tert-butyl-N,5-dimethyl-6-pyridin-2-ylpyrimidin-4-amine
CID 80977116
6-(2,5-dimethylphenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80977653
2-tert-butyl-N,5-dimethyl-6-(3-methylphenyl)sulfanylpyrimidin-4-amine
CID 80989901
2-tert-butyl-N,5-dimethyl-6-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 80974722
4-(2,5-dimethylphenyl)-N,5-dimethyl-1,3-thiazol-2-amine
CID 8963113
1-tert-butyl-3-(2,5-dimethylphenyl)-N-methylpyrazol-4-amine
CID 134594215
2-tert-butyl-5-methyl-6-(2-methylthiophen-3-yl)-N-propylpyrimidin-4-amine
CID 102838647

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).