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

C13H13BrIN3 — CID 66304355

IUPAC2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C13H13BrIN3/c1-2-7-16-13-11(15)8-17-12(18-13)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyYJUWSAGHVSCGOG-UHFFFAOYSA-N
MW418.08 g/mol
LogP4.33
Rot. Bonds4

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

2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 66304355) has the molecular formula C13H13BrIN3 and a molecular weight of 418.08 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
PubChem CID66304355
Molecular FormulaC13H13BrIN3
Molecular Weight418.08 g/mol
Exact Mass416.93
IUPAC Name2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Br)cc2)ncc1I
InChIInChI=1S/C13H13BrIN3/c1-2-7-16-13-11(15)8-17-12(18-13)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,18)
InChIKeyYJUWSAGHVSCGOG-UHFFFAOYSA-N
XLogP4.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.08
LogP ≤ 54.33
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-(4-chlorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66302314
5-iodo-2-phenyl-N-propylpyrimidin-4-amine
CID 66303336
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
2-(3-bromo-5-fluorophenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66423303
N-ethyl-2-(4-ethylphenyl)-5-iodopyrimidin-4-amine
CID 66302305
N-ethyl-5-iodo-2-(4-methoxyphenyl)pyrimidin-4-amine
CID 66302094
2-(2,5-dimethylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 66297059
2-(7-bromo-1,3-benzodioxol-5-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 66296489
2-(4-bromophenyl)-5-ethyl-6-methyl-N-propylpyrimidin-4-amine
CID 63486623
5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
CID 115525347
2-(4-cyclopropylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 79980765
5-iodo-2-(3-propan-2-ylimidazol-4-yl)-N-propylpyrimidin-4-amine
CID 66296296

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine (CID 66304355) is 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Br)cc2)ncc1I.
What is the InChIKey of 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is YJUWSAGHVSCGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrIN3/c1-2-7-16-13-11(15)8-17-12(18-13)9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3,(H,16,17,18).
What are the key properties of 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine?
2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 418.08 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66304355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).