5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine

C10H6BrF2N3O — CID 114073133

IUPAC5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
SMILESNc1ncnc(Oc2ccc(F)cc2F)c1Br
InChIInChI=1S/C10H6BrF2N3O/c11-8-9(14)15-4-16-10(8)17-7-2-1-5(12)3-6(7)13/h1-4H,(H2,14,15,16)
InChIKeyUFUGCZSYYNAESQ-UHFFFAOYSA-N
MW302.08 g/mol
LogP2.89
Rot. Bonds2

About 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine

5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine (PubChem CID 114073133) has the molecular formula C10H6BrF2N3O and a molecular weight of 302.08 g/mol. Its IUPAC name is 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
PubChem CID114073133
Molecular FormulaC10H6BrF2N3O
Molecular Weight302.08 g/mol
Exact Mass300.97
IUPAC Name5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine
SMILESNc1ncnc(Oc2ccc(F)cc2F)c1Br
InChIInChI=1S/C10H6BrF2N3O/c11-8-9(14)15-4-16-10(8)17-7-2-1-5(12)3-6(7)13/h1-4H,(H2,14,15,16)
InChIKeyUFUGCZSYYNAESQ-UHFFFAOYSA-N
XLogP2.89
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-6-(2-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073540
3-(2,4-difluorophenoxy)pyrazin-2-amine
CID 102987748
6-(4-bromo-2-fluorophenoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80881778
5-bromo-6-(3-bromo-5-fluorophenoxy)pyrimidin-4-amine
CID 114073529
4-(2,4-difluorophenoxy)-5-fluoropyrimidin-2-amine
CID 80862564
5-bromo-6-(4-methylsulfanylphenoxy)pyrimidin-4-amine
CID 114073419
6-(2,4-difluorophenoxy)pyrido[3,2-d]pyrimidin-4-amine
CID 90054645
6-(2,4-difluorophenoxy)-4-methylpyridin-3-amine
CID 79175877
4-(6-amino-5-bromopyrimidin-4-yl)oxy-2-fluorobenzonitrile
CID 114073522
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
6-(2,4-difluorophenoxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 80866182
5-bromo-2-(2,4-difluorophenoxy)-4-fluoroaniline
CID 66110764

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine (CID 114073133) is 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine is Nc1ncnc(Oc2ccc(F)cc2F)c1Br.
What is the InChIKey of 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine?
The InChIKey is UFUGCZSYYNAESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF2N3O/c11-8-9(14)15-4-16-10(8)17-7-2-1-5(12)3-6(7)13/h1-4H,(H2,14,15,16).
What are the key properties of 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine?
5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine has a molecular weight of 302.08 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,4-difluorophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 114073133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).