5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

C12H13BrN4 — CID 62900001

IUPAC5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ncc(-c2ccccc2Br)c(N)n1
InChIInChI=1S/C12H13BrN4/c1-17(2)12-15-7-9(11(14)16-12)8-5-3-4-6-10(8)13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyNENXWXFBSQDHST-UHFFFAOYSA-N
MW293.17 g/mol
LogP2.55
Rot. Bonds2

About 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine

5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 62900001) has the molecular formula C12H13BrN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID62900001
Molecular FormulaC12H13BrN4
Molecular Weight293.17 g/mol
Exact Mass292.03
IUPAC Name5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCN(C)c1ncc(-c2ccccc2Br)c(N)n1
InChIInChI=1S/C12H13BrN4/c1-17(2)12-15-7-9(11(14)16-12)8-5-3-4-6-10(8)13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyNENXWXFBSQDHST-UHFFFAOYSA-N
XLogP2.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 62900001) is 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is CN(C)c1ncc(-c2ccccc2Br)c(N)n1.
What is the InChIKey of 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is NENXWXFBSQDHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4/c1-17(2)12-15-7-9(11(14)16-12)8-5-3-4-6-10(8)13/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine?
5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 293.17 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 62900001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).