6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine

C16H21N3 — CID 80935518

IUPAC6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-5-15-18-13(10-14(17)19-15)11-6-8-12(9-7-11)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyHJYMBHGEVDVAAJ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.59
Rot. Bonds2

About 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine

6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine (PubChem CID 80935518) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
PubChem CID80935518
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
SMILESCCc1nc(N)cc(-c2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C16H21N3/c1-5-15-18-13(10-14(17)19-15)11-6-8-12(9-7-11)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyHJYMBHGEVDVAAJ-UHFFFAOYSA-N
XLogP3.59
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-tert-butylphenyl)pyrimidine-2,4-diamine
CID 106878479
6-[4-(dimethylamino)phenyl]-2-ethylpyrimidin-4-amine
CID 80936309
6-(3,4-difluorophenyl)-2-ethylpyrimidin-4-amine
CID 80936673
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
CID 158829270
2-ethyl-6-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 102754278
2-ethyl-6-(3-methyl-1-benzofuran-5-yl)pyrimidin-4-amine
CID 175860521
4-(4-tert-butylphenyl)-6-chloro-2-propylpyrimidine
CID 80946463
6-(3-chloro-5-fluorophenyl)-2-ethylpyrimidin-4-amine
CID 113324875
6-(3,4-difluorophenyl)-2-propylpyrimidin-4-amine
CID 80945275
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754
2-ethyl-6-(4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80936844

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine?
The IUPAC name of 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine (CID 80935518) is 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine is CCc1nc(N)cc(-c2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine?
The InChIKey is HJYMBHGEVDVAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-15-18-13(10-14(17)19-15)11-6-8-12(9-7-11)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19).
What are the key properties of 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine?
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine has a molecular weight of 255.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine is sourced from PubChem (CID 80935518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).