6-[(3-bromophenyl)methoxy]pyrimidin-4-amine

C11H10BrN3O — CID 82825459

IUPAC6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
SMILESNc1cc(OCc2cccc(Br)c2)ncn1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-2-8(4-9)6-16-11-5-10(13)14-7-15-11/h1-5,7H,6H2,(H2,13,14,15)
InChIKeyDQHLZHBQEJADEN-UHFFFAOYSA-N
MW280.12 g/mol
LogP2.40
Rot. Bonds3

About 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine

6-[(3-bromophenyl)methoxy]pyrimidin-4-amine (PubChem CID 82825459) has the molecular formula C11H10BrN3O and a molecular weight of 280.12 g/mol. Its IUPAC name is 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
PubChem CID82825459
Molecular FormulaC11H10BrN3O
Molecular Weight280.12 g/mol
Exact Mass279.00
IUPAC Name6-[(3-bromophenyl)methoxy]pyrimidin-4-amine
SMILESNc1cc(OCc2cccc(Br)c2)ncn1
InChIInChI=1S/C11H10BrN3O/c12-9-3-1-2-8(4-9)6-16-11-5-10(13)14-7-15-11/h1-5,7H,6H2,(H2,13,14,15)
InChIKeyDQHLZHBQEJADEN-UHFFFAOYSA-N
XLogP2.40
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.12
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(3-methoxyphenyl)methoxy]pyrimidin-4-amine
CID 80868695
2-[(3-bromophenyl)methoxy]-5-methylpyridin-4-amine
CID 83270095
6-[(3-bromophenyl)methoxy]-2-methoxypyridin-3-amine
CID 82827567
6-[(3-bromophenyl)methoxy]-2-[(2-methylpropan-2-yl)oxy]pyridin-3-amine
CID 82804375
5-[(3-bromophenyl)methoxy]pyrazine-2-carbothioamide
CID 82827307
[3-[(3-bromophenyl)methoxymethyl]phenyl]methanamine
CID 82827520
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900
4-bromo-2-[(3-fluorophenyl)methoxy]pyridine
CID 124928542
N-[(3-bromophenyl)methyl]-6-ethoxypyrimidin-4-amine
CID 66329969
(1S)-1-[4-[(3-bromophenyl)methoxy]phenyl]ethanamine
CID 55190790
3-[(3-bromophenyl)methoxy]-5-methoxyaniline
CID 82828787

Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine (CID 82825459) is 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine is Nc1cc(OCc2cccc(Br)c2)ncn1.
What is the InChIKey of 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine?
The InChIKey is DQHLZHBQEJADEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O/c12-9-3-1-2-8(4-9)6-16-11-5-10(13)14-7-15-11/h1-5,7H,6H2,(H2,13,14,15).
What are the key properties of 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine?
6-[(3-bromophenyl)methoxy]pyrimidin-4-amine has a molecular weight of 280.12 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromophenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 82825459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).