4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine

C14H17BrN4 — CID 80847856

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C14H17BrN4/c1-4-16-14-17-6-5-12(19-14)18-13-9(2)7-11(15)8-10(13)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRTNICZRHLGPWGH-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.03
Rot. Bonds4

About 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80847856) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80847856
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2c(C)cc(Br)cc2C)n1
InChIInChI=1S/C14H17BrN4/c1-4-16-14-17-6-5-12(19-14)18-13-9(2)7-11(15)8-10(13)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRTNICZRHLGPWGH-UHFFFAOYSA-N
XLogP4.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-2-hydrazinylpyrimidin-4-amine
CID 80930313
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80789152
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-N-(3-bromo-5-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 107580994
2-N-butyl-4-N-(2-chloro-4,6-dimethylphenyl)pyrimidine-2,4-diamine
CID 112883085
4-N-(2-chloro-4-fluorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80757509
4-N-(1-benzothiophen-5-yl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847556
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-ethyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 80790438

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80847856) is 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2c(C)cc(Br)cc2C)n1.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is RTNICZRHLGPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-4-16-14-17-6-5-12(19-14)18-13-9(2)7-11(15)8-10(13)3/h5-8H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80847856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).