4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

C13H15BrN4 — CID 80793977

IUPAC4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2Br)ncn1
InChIInChI=1S/C13H15BrN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyUSEZVGLWABDRLW-UHFFFAOYSA-N
MW307.19 g/mol
LogP2.92
Rot. Bonds4

About 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine

4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (PubChem CID 80793977) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
PubChem CID80793977
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
SMILESCNc1cc(N(C)Cc2ccccc2Br)ncn1
InChIInChI=1S/C13H15BrN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17)
InChIKeyUSEZVGLWABDRLW-UHFFFAOYSA-N
XLogP2.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine (CID 80793977) is 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is CNc1cc(N(C)Cc2ccccc2Br)ncn1.
What is the InChIKey of 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
The InChIKey is USEZVGLWABDRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-15-12-7-13(17-9-16-12)18(2)8-10-5-3-4-6-11(10)14/h3-7,9H,8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine?
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine has a molecular weight of 307.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80793977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).