N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine

C8H11BrIN3 — CID 116649589

IUPACN-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
SMILESCC(CBr)N(C)c1ncc(I)cn1
InChIInChI=1S/C8H11BrIN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyQFDLSYKUTOLCNB-UHFFFAOYSA-N
MW356.01 g/mol
LogP2.30
Rot. Bonds3

About N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine

N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine (PubChem CID 116649589) has the molecular formula C8H11BrIN3 and a molecular weight of 356.01 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
PubChem CID116649589
Molecular FormulaC8H11BrIN3
Molecular Weight356.01 g/mol
Exact Mass354.92
IUPAC NameN-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine
SMILESCC(CBr)N(C)c1ncc(I)cn1
InChIInChI=1S/C8H11BrIN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyQFDLSYKUTOLCNB-UHFFFAOYSA-N
XLogP2.30
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.01
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-5-fluoro-N-methylpyrimidin-2-amine
CID 104606760
5-iodo-N-methyl-N-(3-methylbutan-2-yl)pyrimidin-2-amine
CID 104840117
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
5-(bromomethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 107085026
5-bromo-N-methyl-N-(4-methylpentan-2-yl)pyrimidin-2-amine
CID 63872878
3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
CID 63873576
N-(1-bromopropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 104555295
2-N-methyl-2-N-(5-methylpyrimidin-2-yl)propane-1,2-diamine
CID 104556690
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
N-(1-bromopropan-2-yl)-N,3-dimethylpyridin-2-amine
CID 104555263
2-[(5-aminopyrimidin-2-yl)-methylamino]propan-1-ol
CID 104551057
2-N-methyl-2-N-pentan-2-ylpyrimidine-2,5-diamine
CID 61145457

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine (CID 116649589) is N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine is CC(CBr)N(C)c1ncc(I)cn1.
What is the InChIKey of N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine?
The InChIKey is QFDLSYKUTOLCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrIN3/c1-6(3-9)13(2)8-11-4-7(10)5-12-8/h4-6H,3H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine?
N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine has a molecular weight of 356.01 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-5-iodo-N-methylpyrimidin-2-amine is sourced from PubChem (CID 116649589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).