5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine

C13H15BrN4 — CID 114071894

IUPAC5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2ncnc(NC)c2Br)c1
InChIInChI=1S/C13H15BrN4/c1-3-9-5-4-6-10(7-9)18-13-11(14)12(15-2)16-8-17-13/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyDZEYSXLBPKANAQ-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.59
Rot. Bonds4

About 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine

5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine (PubChem CID 114071894) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
PubChem CID114071894
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1cccc(Nc2ncnc(NC)c2Br)c1
InChIInChI=1S/C13H15BrN4/c1-3-9-5-4-6-10(7-9)18-13-11(14)12(15-2)16-8-17-13/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyDZEYSXLBPKANAQ-UHFFFAOYSA-N
XLogP3.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(3-ethylphenyl)pyridin-2-amine
CID 63463490
5-bromo-6-hydrazinyl-N-[3-(methoxymethyl)phenyl]pyrimidin-4-amine
CID 114073042
3-bromo-N-(3-ethylphenyl)-5-methylpyridin-2-amine
CID 105367623
N-(3-ethylphenyl)-6-hydrazinyl-5-propylpyrimidin-4-amine
CID 80928282
5-bromo-2-N-(3-ethylphenyl)pyrazine-2,3-diamine
CID 86661943
4-N-(3-bromophenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544393
5-bromo-4-N-(4-chlorophenyl)-6-N-methylpyrimidine-4,6-diamine
CID 114071876
6,7-diethoxy-N-(3-ethylphenyl)quinazolin-4-amine;hydrochloride
CID 68570553
6-chloro-N-(3-ethylphenyl)-5-nitropyrimidin-4-amine
CID 62101847
2-cyclopropyl-4-N-(3-ethylphenyl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80981560
5-bromo-N-(3-ethylphenyl)pyridin-3-amine
CID 104531520
2-N-(3-ethylphenyl)-4-methylpyridine-2,3-diamine
CID 20714444

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine (CID 114071894) is 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine is CCc1cccc(Nc2ncnc(NC)c2Br)c1.
What is the InChIKey of 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is DZEYSXLBPKANAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-9-5-4-6-10(7-9)18-13-11(14)12(15-2)16-8-17-13/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine?
5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 307.20 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-(3-ethylphenyl)-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 114071894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).