5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine

C12H12BrN3O2 — CID 114073066

IUPAC5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1ccc(COc2ncnc(N)c2Br)cc1
InChIInChI=1S/C12H12BrN3O2/c1-17-9-4-2-8(3-5-9)6-18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3,(H2,14,15,16)
InChIKeyHYHNRBZLPLDQCL-UHFFFAOYSA-N
MW310.15 g/mol
LogP2.41
Rot. Bonds4

About 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine

5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine (PubChem CID 114073066) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
PubChem CID114073066
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC Name5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine
SMILESCOc1ccc(COc2ncnc(N)c2Br)cc1
InChIInChI=1S/C12H12BrN3O2/c1-17-9-4-2-8(3-5-9)6-18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3,(H2,14,15,16)
InChIKeyHYHNRBZLPLDQCL-UHFFFAOYSA-N
XLogP2.41
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine (CID 114073066) is 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine is COc1ccc(COc2ncnc(N)c2Br)cc1.
What is the InChIKey of 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine?
The InChIKey is HYHNRBZLPLDQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-17-9-4-2-8(3-5-9)6-18-12-10(13)11(14)15-7-16-12/h2-5,7H,6H2,1H3,(H2,14,15,16).
What are the key properties of 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine?
5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine has a molecular weight of 310.15 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(4-methoxyphenyl)methoxy]pyrimidin-4-amine is sourced from PubChem (CID 114073066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).