2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine

C12H10BrF2N3O — CID 107100969

IUPAC2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H10BrF2N3O/c1-6-2-10(16)18-11(17-6)5-19-9-4-7(13)3-8(14)12(9)15/h2-4H,5H2,1H3,(H2,16,17,18)
InChIKeyIXULGZKDADKNLM-UHFFFAOYSA-N
MW330.13 g/mol
LogP2.99
Rot. Bonds3

About 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine

2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine (PubChem CID 107100969) has the molecular formula C12H10BrF2N3O and a molecular weight of 330.13 g/mol. Its IUPAC name is 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
PubChem CID107100969
Molecular FormulaC12H10BrF2N3O
Molecular Weight330.13 g/mol
Exact Mass329.00
IUPAC Name2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(N)nc(COc2cc(Br)cc(F)c2F)n1
InChIInChI=1S/C12H10BrF2N3O/c1-6-2-10(16)18-11(17-6)5-19-9-4-7(13)3-8(14)12(9)15/h2-4H,5H2,1H3,(H2,16,17,18)
InChIKeyIXULGZKDADKNLM-UHFFFAOYSA-N
XLogP2.99
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 3051325
2-[(2-chloro-4-methylphenoxy)methyl]-6-methylpyrimidin-4-amine
CID 80654623
2-[(2-methoxyphenoxy)methyl]-6-methylpyrimidin-4-amine;hydrochloride
CID 3051324
4-[(5-bromo-2,3-difluorophenoxy)methyl]-2-methyl-1,3-thiazole
CID 107098783
2-[(4-chloro-3-fluorophenoxy)methyl]-6-methylpyrimidin-4-amine
CID 82716054
2-[(5-bromo-2-fluorophenoxy)methyl]-4-chloro-6-methylpyrimidine
CID 114672189
6-methyl-2-[(2,4,6-trimethylphenoxy)methyl]pyrimidin-4-amine
CID 80503710
5-[(5-bromo-2,3-difluorophenoxy)methyl]-3-propyl-1,2,4-oxadiazole
CID 107098700
5-bromo-1-[(2,5-dimethylphenyl)methoxy]-2,3-difluorobenzene
CID 107098576
5-bromo-1-[(3,4-dimethoxyphenyl)methoxy]-2,3-difluorobenzene
CID 107098957
4-bromo-5-[(5-bromo-2,3-difluorophenoxy)methyl]-1,3-dimethylpyrazole
CID 107098457
2-[(2,3-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80655015

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine (CID 107100969) is 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine is Cc1cc(N)nc(COc2cc(Br)cc(F)c2F)n1.
What is the InChIKey of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
The InChIKey is IXULGZKDADKNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF2N3O/c1-6-2-10(16)18-11(17-6)5-19-9-4-7(13)3-8(14)12(9)15/h2-4H,5H2,1H3,(H2,16,17,18).
What are the key properties of 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine?
2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine has a molecular weight of 330.13 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,3-difluorophenoxy)methyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 107100969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).