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

C16H22N4 — CID 80762731

IUPAC4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N4/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyWQSNEGFGARDPET-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.66
Rot. Bonds3

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

4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine (PubChem CID 80762731) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
PubChem CID80762731
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
SMILESCCc1c(N)ncnc1Nc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H22N4/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20)
InChIKeyWQSNEGFGARDPET-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

Analyze 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-(4-bromophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80760702
5-ethyl-4-N-(4-propan-2-ylphenyl)pyrimidine-4,6-diamine
CID 80768345
4-N-(3,4-dichlorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80769140
4-N-(2-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine
CID 80835155
4-N-(4-bromo-3-fluorophenyl)-5-ethylpyrimidine-4,6-diamine
CID 80843069
N-(4-tert-butylphenyl)-6-chloro-5-propylpyrimidin-4-amine
CID 63733908
5-ethyl-4-N-(3-methylphenyl)pyrimidine-4,6-diamine
CID 80754890
4-N-(1,3-benzodioxol-5-yl)-5-ethylpyrimidine-4,6-diamine
CID 80759767
4-N-[3-(dimethylamino)-4-methylphenyl]-5-ethylpyrimidine-4,6-diamine
CID 115379724
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
6-chloro-5-ethyl-N-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 63735246
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine (CID 80762731) is 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine is CCc1c(N)ncnc1Nc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
The InChIKey is WQSNEGFGARDPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-5-13-14(17)18-10-19-15(13)20-12-8-6-11(7-9-12)16(2,3)4/h6-10H,5H2,1-4H3,(H3,17,18,19,20).
What are the key properties of 4-N-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine?
4-N-(4-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-(4-tert-butylphenyl)-5-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80762731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).