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

C16H21N3 — CID 158829270

IUPAC4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1
InChIInChI=1S/C16H21N3/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyATEYFPGGXHKCPL-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.59
Rot. Bonds2

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

4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine (PubChem CID 158829270) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
PubChem CID158829270
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine
SMILESCCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1
InChIInChI=1S/C16H21N3/c1-5-13-10-14(19-15(17)18-13)11-6-8-12(9-7-11)16(2,3)4/h6-10H,5H2,1-4H3,(H2,17,18,19)
InChIKeyATEYFPGGXHKCPL-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
4-(2-amino-6-ethylpyrimidin-4-yl)benzaldehyde
CID 157220237
4-ethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-2-amine
CID 157488014
1-[4-(2-amino-6-ethylpyrimidin-4-yl)phenyl]-2,2,2-trifluoroethanone
CID 157463679
6-(4-tert-butylphenyl)-2-ethylpyrimidin-4-amine
CID 80935518
2-amino-6-(4-tert-butylphenyl)pyrimidine-4-carboxylic acid
CID 28799538
4-ethyl-6-[2-methyl-5-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 157068956
4-ethyl-2-methyl-6-(4-methylphenyl)pyrimidine
CID 70828603
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine;4-(3,4-dichlorophenyl)-6-ethylpyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-(oxolan-3-ylmethyl)pyrimidin-2-amine;4-(2,3-dichlorophenyl)-6-propylpyrimidin-2-amine;4-ethyl-6-(4-methylphenyl)pyrimidin-2-amine
CID 159469098
4-chloro-6-(4-ethylphenyl)pyrimidin-2-amine
CID 24743463
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine (CID 158829270) is 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine is CCc1cc(-c2ccc(C(C)(C)C)cc2)nc(N)n1.
What is the InChIKey of 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine?
The InChIKey is ATEYFPGGXHKCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-13-10-14(19-15(17)18-13)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 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine?
4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-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 4-(4-tert-butylphenyl)-6-ethylpyrimidin-2-amine is sourced from PubChem (CID 158829270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).