4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine

C17H15BrN4 — CID 112889532

IUPAC4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
SMILESBrc1ccccc1Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C17H15BrN4/c18-14-8-4-5-9-15(14)21-17-19-11-10-16(22-17)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyRANYBNUIIFLZCT-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.59
Rot. Bonds5

About 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine

4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine (PubChem CID 112889532) has the molecular formula C17H15BrN4 and a molecular weight of 355.24 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
PubChem CID112889532
Molecular FormulaC17H15BrN4
Molecular Weight355.24 g/mol
Exact Mass354.05
IUPAC Name4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine
SMILESBrc1ccccc1Nc1nccc(NCc2ccccc2)n1
InChIInChI=1S/C17H15BrN4/c18-14-8-4-5-9-15(14)21-17-19-11-10-16(22-17)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21,22)
InChIKeyRANYBNUIIFLZCT-UHFFFAOYSA-N
XLogP4.59
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2-bromophenyl)-4-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891979
2-N-(2-bromophenyl)-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112885809
4-N-benzyl-2-N-isoquinolin-1-ylpyrimidine-2,4-diamine
CID 117091823
2-N-(2-bromo-4-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893787
2-N-(2-bromophenyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112901822
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112891495
4-N-benzyl-2-N-(2-methoxy-5-methylphenyl)pyrimidine-2,4-diamine
CID 112889503
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
4-N-[(4-methylphenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112890302
4-N-[(4-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891413
2-N-(2-fluorophenyl)-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892448
4-N-benzyl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112889273

Frequently Asked Questions

What is the IUPAC name of 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine (CID 112889532) is 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine is Brc1ccccc1Nc1nccc(NCc2ccccc2)n1.
What is the InChIKey of 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine?
The InChIKey is RANYBNUIIFLZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4/c18-14-8-4-5-9-15(14)21-17-19-11-10-16(22-17)20-12-13-6-2-1-3-7-13/h1-11H,12H2,(H2,19,20,21,22).
What are the key properties of 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine?
4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine has a molecular weight of 355.24 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-(2-bromophenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112889532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).