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

C14H15BrIN3 — CID 66304987

IUPAC2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(NC)c1I
InChIInChI=1S/C14H15BrIN3/c1-3-6-11-12(16)14(17-2)19-13(18-11)9-7-4-5-8-10(9)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyCAHYZGMFEZVDSJ-UHFFFAOYSA-N
MW432.10 g/mol
LogP4.50
Rot. Bonds4

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

2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66304987) has the molecular formula C14H15BrIN3 and a molecular weight of 432.10 g/mol. Its IUPAC name is 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66304987
Molecular FormulaC14H15BrIN3
Molecular Weight432.10 g/mol
Exact Mass430.95
IUPAC Name2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccccc2Br)nc(NC)c1I
InChIInChI=1S/C14H15BrIN3/c1-3-6-11-12(16)14(17-2)19-13(18-11)9-7-4-5-8-10(9)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyCAHYZGMFEZVDSJ-UHFFFAOYSA-N
XLogP4.50
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.10
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine (CID 66304987) is 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccccc2Br)nc(NC)c1I.
What is the InChIKey of 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is CAHYZGMFEZVDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrIN3/c1-3-6-11-12(16)14(17-2)19-13(18-11)9-7-4-5-8-10(9)15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine?
2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 432.10 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66304987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).