5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine

C11H10BrIN4 — CID 10993155

IUPAC5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine
SMILESCN(c1cccc(Br)c1)c1c(N)ncnc1I
InChIInChI=1S/C11H10BrIN4/c1-17(8-4-2-3-7(12)5-8)9-10(13)15-6-16-11(9)14/h2-6H,1H3,(H2,14,15,16)
InChIKeySFNWECYEQSRKTB-UHFFFAOYSA-N
MW405.04 g/mol
LogP3.19
Rot. Bonds2

About 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine

5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine (PubChem CID 10993155) has the molecular formula C11H10BrIN4 and a molecular weight of 405.04 g/mol. Its IUPAC name is 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine
PubChem CID10993155
Molecular FormulaC11H10BrIN4
Molecular Weight405.04 g/mol
Exact Mass403.91
IUPAC Name5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine
SMILESCN(c1cccc(Br)c1)c1c(N)ncnc1I
InChIInChI=1S/C11H10BrIN4/c1-17(8-4-2-3-7(12)5-8)9-10(13)15-6-16-11(9)14/h2-6H,1H3,(H2,14,15,16)
InChIKeySFNWECYEQSRKTB-UHFFFAOYSA-N
XLogP3.19
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.04
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine?
The IUPAC name of 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine (CID 10993155) is 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine?
The canonical SMILES for 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine is CN(c1cccc(Br)c1)c1c(N)ncnc1I.
What is the InChIKey of 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine?
The InChIKey is SFNWECYEQSRKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN4/c1-17(8-4-2-3-7(12)5-8)9-10(13)15-6-16-11(9)14/h2-6H,1H3,(H2,14,15,16).
What are the key properties of 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine?
5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine has a molecular weight of 405.04 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(3-bromophenyl)-6-iodo-5-N-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 10993155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).