2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

C14H15BrIN3 — CID 66301314

IUPAC2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cccc(Br)c2)nc(N)c1I
InChIInChI=1S/C14H15BrIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
InChIKeyIJXRJIPRNHSJSJ-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.14
Rot. Bonds3

About 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 66301314) has the molecular formula C14H15BrIN3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID66301314
Molecular FormulaC14H15BrIN3
Molecular Weight432.10 g/mol
Exact Mass430.95
IUPAC Name2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCC(C)c1nc(Cc2cccc(Br)c2)nc(N)c1I
InChIInChI=1S/C14H15BrIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19)
InChIKeyIJXRJIPRNHSJSJ-UHFFFAOYSA-N
XLogP4.14
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.14
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

2-[(3-fluorophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66300915
4-[(3-bromophenyl)methyl]-6-propan-2-yl-1,3,5-triazin-2-amine
CID 55251813
2-[(3-bromophenyl)methyl]-4-chloro-6-methyl-5-propan-2-ylpyrimidine
CID 55185799
2-[(3-bromophenyl)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351504
2-[(3-chlorophenyl)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66299752
5-bromo-2-[(3,5-difluorophenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
CID 66299309
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080
2-[(3-bromophenyl)methyl]-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66293662
2-[(3-chlorophenyl)methyl]-6-ethyl-5-iodopyrimidin-4-amine
CID 66298678
5-iodo-2-[(3-methylphenyl)methyl]-6-propylpyrimidin-4-amine
CID 66304585
1-[2-[(3-bromophenyl)methyl]-6-methylpyrimidin-4-yl]-N-methylmethanamine
CID 62741909
2-[(3-bromophenyl)methyl]-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66293895

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 66301314) is 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is CC(C)c1nc(Cc2cccc(Br)c2)nc(N)c1I.
What is the InChIKey of 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is IJXRJIPRNHSJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrIN3/c1-8(2)13-12(16)14(17)19-11(18-13)7-9-4-3-5-10(15)6-9/h3-6,8H,7H2,1-2H3,(H2,17,18,19).
What are the key properties of 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 432.10 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methyl]-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 66301314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).