5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine

C11H10Br2N4 — CID 44531192

IUPAC5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H10Br2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyUBDASFHSDVPGQV-UHFFFAOYSA-N
MW358.04 g/mol
LogP3.14
Rot. Bonds1

About 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine

5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 44531192) has the molecular formula C11H10Br2N4 and a molecular weight of 358.04 g/mol. Its IUPAC name is 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID44531192
Molecular FormulaC11H10Br2N4
Molecular Weight358.04 g/mol
Exact Mass355.93
IUPAC Name5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine
SMILESCc1nc(N)nc(N)c1-c1ccc(Br)c(Br)c1
InChIInChI=1S/C11H10Br2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17)
InChIKeyUBDASFHSDVPGQV-UHFFFAOYSA-N
XLogP3.14
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.04
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine (CID 44531192) is 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine is Cc1nc(N)nc(N)c1-c1ccc(Br)c(Br)c1.
What is the InChIKey of 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is UBDASFHSDVPGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4/c1-5-9(10(14)17-11(15)16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3,(H4,14,15,16,17).
What are the key properties of 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine?
5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 358.04 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dibromophenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 44531192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).