4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

C17H17BrN6 — CID 19143153

IUPAC4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Br)cn3)c2N)c1C
InChIInChI=1S/C17H17BrN6/c1-10-4-3-5-13(11(10)2)23-16-15(19)17(22-9-21-16)24-14-7-6-12(18)8-20-14/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyRZPGUQGHTHUWTP-UHFFFAOYSA-N
MW385.27 g/mol
LogP4.32
Rot. Bonds4

About 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19143153) has the molecular formula C17H17BrN6 and a molecular weight of 385.27 g/mol. Its IUPAC name is 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19143153
Molecular FormulaC17H17BrN6
Molecular Weight385.27 g/mol
Exact Mass384.07
IUPAC Name4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccc(Br)cn3)c2N)c1C
InChIInChI=1S/C17H17BrN6/c1-10-4-3-5-13(11(10)2)23-16-15(19)17(22-9-21-16)24-14-7-6-12(18)8-20-14/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyRZPGUQGHTHUWTP-UHFFFAOYSA-N
XLogP4.32
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.27
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-(5-bromo-2-pyridinyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19144598
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
4-N-(5-bromo-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 19137129
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-N-(5-bromo-2-pyridinyl)-4-N,4-N-diethylpyrimidine-4,5,6-triamine
CID 19136762
4-N-(5-bromo-2-pyridinyl)-6-N-propylpyrimidine-4,5,6-triamine
CID 19135431
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
2-N-(2,3-dimethylphenyl)-5-methylpyridine-2,3-diamine
CID 66280393

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 19143153) is 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccc(Br)cn3)c2N)c1C.
What is the InChIKey of 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is RZPGUQGHTHUWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN6/c1-10-4-3-5-13(11(10)2)23-16-15(19)17(22-9-21-16)24-14-7-6-12(18)8-20-14/h3-9H,19H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 385.27 g/mol, XLogP of 4.32, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-bromo-2-pyridinyl)-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).