5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine

C12H11Br2N3O — CID 103745919

IUPAC5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2ccccc2Br)ncc1Br
InChIInChI=1S/C12H11Br2N3O/c1-18-11-10(14)7-16-12(17-11)15-6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyBPQHZBCJMLDNFS-UHFFFAOYSA-N
MW373.05 g/mol
LogP3.62
Rot. Bonds4

About 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine

5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine (PubChem CID 103745919) has the molecular formula C12H11Br2N3O and a molecular weight of 373.05 g/mol. Its IUPAC name is 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
PubChem CID103745919
Molecular FormulaC12H11Br2N3O
Molecular Weight373.05 g/mol
Exact Mass370.93
IUPAC Name5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine
SMILESCOc1nc(NCc2ccccc2Br)ncc1Br
InChIInChI=1S/C12H11Br2N3O/c1-18-11-10(14)7-16-12(17-11)15-6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,15,16,17)
InChIKeyBPQHZBCJMLDNFS-UHFFFAOYSA-N
XLogP3.62
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.05
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-(2-phenylpropan-2-yl)pyrimidin-2-amine
CID 114264125
5-bromo-2-N-ethyl-4-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 80769855
N-[(2-bromophenyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 112691839
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
4-N-[(2-bromophenyl)methyl]-2-N-ethyl-5-fluoropyrimidine-2,4-diamine
CID 80794799
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
CID 103746007
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine?
The IUPAC name of 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine (CID 103745919) is 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine is COc1nc(NCc2ccccc2Br)ncc1Br.
What is the InChIKey of 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine?
The InChIKey is BPQHZBCJMLDNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O/c1-18-11-10(14)7-16-12(17-11)15-6-8-4-2-3-5-9(8)13/h2-5,7H,6H2,1H3,(H,15,16,17).
What are the key properties of 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine?
5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 373.05 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2-bromophenyl)methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 103745919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).