2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine

C14H18N4 — CID 123997974

IUPAC2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(-c2nc(N)c(C)c(NC)n2)cc1
InChIInChI=1S/C14H18N4/c1-4-10-5-7-11(8-6-10)14-17-12(15)9(2)13(16-3)18-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyNNOZOBQPIWPNKL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.64
Rot. Bonds3

About 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine

2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 123997974) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID123997974
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine
SMILESCCc1ccc(-c2nc(N)c(C)c(NC)n2)cc1
InChIInChI=1S/C14H18N4/c1-4-10-5-7-11(8-6-10)14-17-12(15)9(2)13(16-3)18-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18)
InChIKeyNNOZOBQPIWPNKL-UHFFFAOYSA-N
XLogP2.64
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-2-(4-ethylphenyl)-N,5-dimethylpyrimidin-4-amine
CID 63562088
2-(4-ethylphenyl)-N-methylquinazolin-4-amine
CID 63500302
2-(4-ethylphenyl)-N,8-dimethylquinazolin-4-amine
CID 64981181
5-bromo-6-tert-butyl-2-(4-ethylphenyl)-N-methylpyrimidin-4-amine
CID 66304825
5-bromo-2-(4-ethylphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301290
[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 62746651
6-(4-ethylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823552
6-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 62190498
N,5,6-trimethyl-2-(4-propoxyphenyl)pyrimidin-4-amine
CID 62495779
5-chloro-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 83870895
6-ethyl-2-(4-ethylsulfanylphenyl)-5-methylpyrimidin-4-amine
CID 106849539
4,5,6-trichloro-2-(4-ethylphenyl)pyrimidine
CID 87337394

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine (CID 123997974) is 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine is CCc1ccc(-c2nc(N)c(C)c(NC)n2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is NNOZOBQPIWPNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-4-10-5-7-11(8-6-10)14-17-12(15)9(2)13(16-3)18-14/h5-8H,4H2,1-3H3,(H3,15,16,17,18).
What are the key properties of 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine?
2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-4-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 123997974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).