5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine

C15H18BrN3O — CID 66294937

IUPAC5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COC)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-9-17-15-13(16)14(11-7-5-4-6-8-11)18-12(19-15)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyAQAKCTMKBXCDOB-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.87
Rot. Bonds6

About 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine

5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine (PubChem CID 66294937) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
PubChem CID66294937
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(COC)nc(-c2ccccc2)c1Br
InChIInChI=1S/C15H18BrN3O/c1-3-9-17-15-13(16)14(11-7-5-4-6-8-11)18-12(19-15)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19)
InChIKeyAQAKCTMKBXCDOB-UHFFFAOYSA-N
XLogP3.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(2-methoxyethyl)-6-phenylpyrimidin-4-amine
CID 66294729
5-bromo-2-(methoxymethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 66306879
5-bromo-N-ethyl-2-(3-methoxypropyl)-6-phenylpyrimidin-4-amine
CID 66292092
5-bromo-2-butan-2-yl-6-phenyl-N-propylpyrimidin-4-amine
CID 66292295
5-bromo-6-phenyl-N-propylpyrimidin-4-amine
CID 66294940
2-(methoxymethyl)-N,5-dimethyl-6-phenylpyrimidin-4-amine
CID 104846807
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66300970
5-bromo-2-(2-bromophenyl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66300779
2-(methoxymethyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 62191495
5-bromo-6-(methoxymethyl)-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
CID 66298614
5-iodo-2-(2-methylpropyl)-6-phenyl-N-propylpyrimidin-4-amine
CID 66306247
5-bromo-6-(methoxymethyl)-N-propyl-2-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 66300576

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine (CID 66294937) is 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine is CCCNc1nc(COC)nc(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine?
The InChIKey is AQAKCTMKBXCDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-3-9-17-15-13(16)14(11-7-5-4-6-8-11)18-12(19-15)10-20-2/h4-8H,3,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine?
5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(methoxymethyl)-6-phenyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66294937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).