4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine

C13H15BrN4 — CID 80789152

IUPAC4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyCXPBHQCELOYXJN-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.72
Rot. Bonds4

About 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine

4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80789152) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80789152
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
SMILESCCNc1nccc(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C13H15BrN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyCXPBHQCELOYXJN-UHFFFAOYSA-N
XLogP3.72
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine
CID 80762563
4-N-(4-bromo-2-methylphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84506008
4-N-(4-bromo-2,6-dimethylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80847856
4-N-(2,5-dibromophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80803992
5-bromo-4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80788736
4-N-(4-bromo-2-methylphenyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112899421
4-N-(2,5-dibromophenyl)-2-N-methylpyrimidine-2,4-diamine
CID 80802722
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
2-N-(4-bromo-2-methylphenyl)-4-N-pentylpyrimidine-2,4-diamine
CID 112900415
2-N-ethyl-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 80761602
4-N-(5-bromo-2-methylphenyl)-6-N-propylpyrimidine-4,6-diamine
CID 80788913

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine (CID 80789152) is 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine is CCNc1nccc(Nc2cc(Br)ccc2C)n1.
What is the InChIKey of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is CXPBHQCELOYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-15-13-16-7-6-12(18-13)17-11-8-10(14)5-4-9(11)2/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine?
4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 307.19 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-methylphenyl)-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80789152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).