5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

C15H18BrN3O — CID 116776857

IUPAC5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCOC(c1ccccc1)c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-9(2)12-11(16)14(17)19-15(18-12)13(20-3)10-7-5-4-6-8-10/h4-9,13H,1-3H3,(H2,17,18,19)
InChIKeyBRTBNMFZPVRRGI-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.68
Rot. Bonds4

About 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (PubChem CID 116776857) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
PubChem CID116776857
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC Name5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine
SMILESCOC(c1ccccc1)c1nc(N)c(Br)c(C(C)C)n1
InChIInChI=1S/C15H18BrN3O/c1-9(2)12-11(16)14(17)19-15(18-12)13(20-3)10-7-5-4-6-8-10/h4-9,13H,1-3H3,(H2,17,18,19)
InChIKeyBRTBNMFZPVRRGI-UHFFFAOYSA-N
XLogP3.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[methoxy(phenyl)methyl]-6-propylpyrimidin-4-amine
CID 116776608
4-[methoxy(phenyl)methyl]-6-methyl-1,3,5-triazin-2-amine
CID 116781866
4-amino-2-[methoxy(phenyl)methyl]-6-methylpyrimidine-5-carbonitrile
CID 116782061
5-bromo-3-[methoxy(phenyl)methyl]-1,2,4-thiadiazole
CID 102618231
5-bromo-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 66299701
5-bromo-2-[methoxy(phenyl)methyl]-N-methyl-6-propylpyrimidin-4-amine
CID 116776623
2-benzyl-5-bromo-6-propan-2-ylpyrimidin-4-amine
CID 66300487
5-bromo-2-[methoxy(phenyl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116776521
4-amino-2-[methoxy(phenyl)methyl]-5-propan-2-yl-1H-pyrimidin-6-one
CID 136960459
5-bromo-2-(2-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66301281
5-bromo-6-propan-2-yl-2-pyridin-2-ylpyrimidin-4-amine
CID 66300484
1-[3-[methoxy(phenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116780931

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine (CID 116776857) is 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is COC(c1ccccc1)c1nc(N)c(Br)c(C(C)C)n1.
What is the InChIKey of 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is BRTBNMFZPVRRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-9(2)12-11(16)14(17)19-15(18-12)13(20-3)10-7-5-4-6-8-10/h4-9,13H,1-3H3,(H2,17,18,19).
What are the key properties of 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 336.23 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[methoxy(phenyl)methyl]-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116776857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).