2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

C15H17BrIN3 — CID 66304800

IUPAC2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(NCC)c1I
InChIInChI=1S/C15H17BrIN3/c1-3-7-12-13(17)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyDCXJOXKDJRKMCU-UHFFFAOYSA-N
MW446.13 g/mol
LogP4.89
Rot. Bonds5

About 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine

2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (PubChem CID 66304800) has the molecular formula C15H17BrIN3 and a molecular weight of 446.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
PubChem CID66304800
Molecular FormulaC15H17BrIN3
Molecular Weight446.13 g/mol
Exact Mass444.97
IUPAC Name2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(NCC)c1I
InChIInChI=1S/C15H17BrIN3/c1-3-7-12-13(17)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20)
InChIKeyDCXJOXKDJRKMCU-UHFFFAOYSA-N
XLogP4.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.13
LogP ≤ 54.89
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-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66304987
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
2-(2-bromophenyl)-6-tert-butyl-N-ethyl-5-iodopyrimidin-4-amine
CID 66299806
2-(2-bromophenyl)-5-iodo-6-propylpyrimidin-4-amine
CID 66307167
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
2-(2-bromophenyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 55219975
2-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 102843967
2-(2-bromo-5-fluorophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 107924001
N-ethyl-5-iodo-6-propyl-2-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 103573026
3-[4-(ethylamino)-5-iodo-6-propylpyrimidin-2-yl]phenol
CID 66296345
N-ethyl-5-iodo-2-(3-methyl-2-pyridinyl)-6-propylpyrimidin-4-amine
CID 66306784

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine (CID 66304800) is 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2Br)nc(NCC)c1I.
What is the InChIKey of 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
The InChIKey is DCXJOXKDJRKMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrIN3/c1-3-7-12-13(17)15(18-4-2)20-14(19-12)10-8-5-6-9-11(10)16/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine?
2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine has a molecular weight of 446.13 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66304800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).