4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine

C16H22N4 — CID 80835155

IUPAC4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H22N4/c1-5-11-14(17)18-10-19-15(11)20-13-9-7-6-8-12(13)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyGVGDNEYJKBOCMF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.66
Rot. Bonds3

About 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine

4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80835155) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80835155
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccccc1C(C)(C)C
InChIInChI=1S/C16H22N4/c1-5-11-14(17)18-10-19-15(11)20-13-9-7-6-8-12(13)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyGVGDNEYJKBOCMF-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
5-ethyl-4-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 80760868
4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80762731
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
4-N-(2-bromophenyl)-5-propylpyrimidine-4,6-diamine
CID 80761295
4-N-(2,4-difluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80761337
4-N-(5-chloroquinolin-8-yl)-5-ethylpyrimidine-4,6-diamine
CID 116785833
4-N-(2-tert-butylphenyl)pyrimidine-4,6-diamine
CID 80836348
3-[(6-amino-5-ethylpyrimidin-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 115366531
4-N-[2-(dimethylamino)phenyl]-5-propylpyrimidine-4,6-diamine
CID 106761045
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-(2-ethoxy-2-methylpropyl)-5-ethylpyrimidine-4,6-diamine
CID 114944680

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine (CID 80835155) is 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccccc1C(C)(C)C.
What is the InChIKey of 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is GVGDNEYJKBOCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-11-14(17)18-10-19-15(11)20-13-9-7-6-8-12(13)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80835155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).