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

C14H17BrN4 — CID 55132577

IUPAC5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(-c2ccc(Br)cc2)c(N)n1
InChIInChI=1S/C14H17BrN4/c1-3-19(4-2)14-17-9-12(13(16)18-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyOUFQYGIAYOJWKO-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.33
Rot. Bonds4

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

5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine (PubChem CID 55132577) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine
PubChem CID55132577
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine
SMILESCCN(CC)c1ncc(-c2ccc(Br)cc2)c(N)n1
InChIInChI=1S/C14H17BrN4/c1-3-19(4-2)14-17-9-12(13(16)18-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18)
InChIKeyOUFQYGIAYOJWKO-UHFFFAOYSA-N
XLogP3.33
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine (CID 55132577) is 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine is CCN(CC)c1ncc(-c2ccc(Br)cc2)c(N)n1.
What is the InChIKey of 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine?
The InChIKey is OUFQYGIAYOJWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-3-19(4-2)14-17-9-12(13(16)18-14)10-5-7-11(15)8-6-10/h5-9H,3-4H2,1-2H3,(H2,16,17,18).
What are the key properties of 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine?
5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine has a molecular weight of 321.22 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-N,2-N-diethylpyrimidine-2,4-diamine is sourced from PubChem (CID 55132577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).