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

C13H15BrN4 — CID 80768500

IUPAC4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C13H15BrN4/c1-3-15-12-7-13(17-8-16-12)18-11-5-4-9(2)6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBITKSKQQZGMKAI-UHFFFAOYSA-N
MW307.20 g/mol
LogP3.72
Rot. Bonds4

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

4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine (PubChem CID 80768500) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
PubChem CID80768500
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine
SMILESCCNc1cc(Nc2ccc(C)cc2Br)ncn1
InChIInChI=1S/C13H15BrN4/c1-3-15-12-7-13(17-8-16-12)18-11-5-4-9(2)6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18)
InChIKeyBITKSKQQZGMKAI-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 ≤ 500307.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(2-bromo-4-methylphenyl)-4-N-tert-butylpyrimidine-4,6-diamine
CID 112863835
4-N-(2-bromo-4-methylphenyl)-6-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112861137
6-N-(2-bromo-4-methylphenyl)-4-N-butyl-4-N-methylpyrimidine-4,6-diamine
CID 112864264
4-N-(2,4-dimethylphenyl)-6-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112855344
4-N-(2,4-dimethylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854964
N-(2-bromo-4-methylphenyl)-2-(ethylamino)pyridine-4-sulfonamide
CID 62164386
6-N-(2-bromo-4-methylphenyl)-4-N-(1,1-dioxothiolan-3-yl)pyrimidine-4,6-diamine
CID 112862022
N-(2-bromo-4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856489
4-N-(5-chloro-2-fluorophenyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80778536
4-N-(2-bromo-4-methylphenyl)-5-propylpyrimidine-4,6-diamine
CID 80768499
4-N-(2,5-dimethylphenyl)-6-N-pentylpyrimidine-4,6-diamine
CID 112864104
4-N-(2-bromo-4-methylphenyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80768591

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine (CID 80768500) is 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine is CCNc1cc(Nc2ccc(C)cc2Br)ncn1.
What is the InChIKey of 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine?
The InChIKey is BITKSKQQZGMKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-3-15-12-7-13(17-8-16-12)18-11-5-4-9(2)6-10(11)14/h4-8H,3H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine?
4-N-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine has a molecular weight of 307.20 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-(2-bromo-4-methylphenyl)-6-N-ethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80768500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).