2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C16H19BrIN3 — CID 105410452

IUPAC2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)c(Br)c2)nc(CC)c1I
InChIInChI=1S/C16H19BrIN3/c1-4-8-19-16-14(18)13(5-2)20-15(21-16)11-7-6-10(3)12(17)9-11/h6-7,9H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyYTKUMROOIUOIKP-UHFFFAOYSA-N
MW460.16 g/mol
LogP5.20
Rot. Bonds5

About 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 105410452) has the molecular formula C16H19BrIN3 and a molecular weight of 460.16 g/mol. Its IUPAC name is 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID105410452
Molecular FormulaC16H19BrIN3
Molecular Weight460.16 g/mol
Exact Mass458.98
IUPAC Name2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(C)c(Br)c2)nc(CC)c1I
InChIInChI=1S/C16H19BrIN3/c1-4-8-19-16-14(18)13(5-2)20-15(21-16)11-7-6-10(3)12(17)9-11/h6-7,9H,4-5,8H2,1-3H3,(H,19,20,21)
InChIKeyYTKUMROOIUOIKP-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.16
LogP ≤ 55.20
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-(2,6-dimethyl-4-pyridinyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107504354
2-(3-chloro-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299688
2-(2-bromophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66301068
2-(2-bromo-4-fluorophenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 107281453
2-(5-bromofuran-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66297356
2-(3-bromo-4-methylphenyl)-N-propyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-amine
CID 105410512
2-(3,4-dimethylphenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 66296731
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
6-ethyl-5-methyl-2-(4-methylphenyl)-N-propylpyrimidin-4-amine
CID 63561195
2-(4-bromo-3-fluorophenyl)-N-ethyl-5-iodo-6-propylpyrimidin-4-amine
CID 81441077
2-(3-fluorophenyl)-5-iodo-N,6-dipropylpyrimidin-4-amine
CID 66306993
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-iodopyrimidine
CID 105408003

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 105410452) is 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(C)c(Br)c2)nc(CC)c1I.
What is the InChIKey of 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is YTKUMROOIUOIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrIN3/c1-4-8-19-16-14(18)13(5-2)20-15(21-16)11-7-6-10(3)12(17)9-11/h6-7,9H,4-5,8H2,1-3H3,(H,19,20,21).
What are the key properties of 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 460.16 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-methylphenyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 105410452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).