5-bromo-N-iodo-4-methoxypyrimidin-2-amine

C5H5BrIN3O — CID 147407713

IUPAC5-bromo-N-iodo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NI)ncc1Br
InChIInChI=1S/C5H5BrIN3O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,1H3,(H,8,9,10)
InChIKeyDPZKDTORQRYDEQ-UHFFFAOYSA-N
MW329.92 g/mol
LogP2.01
Rot. Bonds2

About 5-bromo-N-iodo-4-methoxypyrimidin-2-amine

5-bromo-N-iodo-4-methoxypyrimidin-2-amine (PubChem CID 147407713) has the molecular formula C5H5BrIN3O and a molecular weight of 329.92 g/mol. Its IUPAC name is 5-bromo-N-iodo-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-iodo-4-methoxypyrimidin-2-amine
PubChem CID147407713
Molecular FormulaC5H5BrIN3O
Molecular Weight329.92 g/mol
Exact Mass328.87
IUPAC Name5-bromo-N-iodo-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NI)ncc1Br
InChIInChI=1S/C5H5BrIN3O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,1H3,(H,8,9,10)
InChIKeyDPZKDTORQRYDEQ-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.92
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041
5-bromo-4-methoxy-N-(1-methylcyclopentyl)pyrimidin-2-amine
CID 106997633
5-bromo-N-(2,4-dibromo-5-methoxyphenyl)-4-methoxypyrimidin-2-amine
CID 106999102
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
CID 103745919
5-bromo-4-methoxy-N-(2,3,5,6-tetrafluorophenyl)pyrimidin-2-amine
CID 107645852
1-N-(5-bromo-4-methoxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 106998056
(2R)-2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propanoic acid
CID 122049940
5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
CID 114264125
5-bromo-N-(4-chloro-2-methylbutan-2-yl)-4-methoxypyrimidin-2-amine
CID 106999872

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-iodo-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-iodo-4-methoxypyrimidin-2-amine (CID 147407713) is 5-bromo-N-iodo-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-iodo-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-iodo-4-methoxypyrimidin-2-amine is COc1nc(NI)ncc1Br.
What is the InChIKey of 5-bromo-N-iodo-4-methoxypyrimidin-2-amine?
The InChIKey is DPZKDTORQRYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrIN3O/c1-11-4-3(6)2-8-5(9-4)10-7/h2H,1H3,(H,8,9,10).
What are the key properties of 5-bromo-N-iodo-4-methoxypyrimidin-2-amine?
5-bromo-N-iodo-4-methoxypyrimidin-2-amine has a molecular weight of 329.92 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-iodo-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 147407713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).