2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine

C14H13BrIN3 — CID 66302370

IUPAC2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Br)c2)nc(C2CC2)c1I
InChIInChI=1S/C14H13BrIN3/c1-17-14-11(16)12(8-5-6-8)18-13(19-14)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,17,18,19)
InChIKeyABQASMGSJDHPOB-UHFFFAOYSA-N
MW430.09 g/mol
LogP4.43
Rot. Bonds3

About 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine

2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine (PubChem CID 66302370) has the molecular formula C14H13BrIN3 and a molecular weight of 430.09 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
PubChem CID66302370
Molecular FormulaC14H13BrIN3
Molecular Weight430.09 g/mol
Exact Mass428.93
IUPAC Name2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
SMILESCNc1nc(-c2cccc(Br)c2)nc(C2CC2)c1I
InChIInChI=1S/C14H13BrIN3/c1-17-14-11(16)12(8-5-6-8)18-13(19-14)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,17,18,19)
InChIKeyABQASMGSJDHPOB-UHFFFAOYSA-N
XLogP4.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.09
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-cyclopropyl-5-iodo-N-methyl-2-(4-methylphenyl)pyrimidin-4-amine
CID 66302773
2-(3-bromophenyl)-6-tert-butyl-5-iodo-N-methylpyrimidin-4-amine
CID 66298821
5-bromo-6-cyclopropyl-2-(3-methoxyphenyl)-N-methylpyrimidin-4-amine
CID 66301926
6-cyclopropyl-2-(furan-3-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 66302167
5-bromo-2-(3-bromophenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66298851
5-bromo-6-cyclopropyl-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66302950
2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine
CID 102844086
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
2-(1,3-benzodioxol-5-yl)-5-bromo-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 66297835
6-cyclopropyl-2-(2-ethoxyphenyl)-5-iodo-N-methylpyrimidin-4-amine
CID 66312008
5-[5-bromo-4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]-2-methoxyphenol
CID 66295717

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine (CID 66302370) is 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine is CNc1nc(-c2cccc(Br)c2)nc(C2CC2)c1I.
What is the InChIKey of 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
The InChIKey is ABQASMGSJDHPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrIN3/c1-17-14-11(16)12(8-5-6-8)18-13(19-14)9-3-2-4-10(15)7-9/h2-4,7-8H,5-6H2,1H3,(H,17,18,19).
What are the key properties of 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine?
2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine has a molecular weight of 430.09 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-cyclopropyl-5-iodo-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66302370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).