5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine

C14H16Br2N4O — CID 10905790

IUPAC5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCOc1c(Br)cc(-c2c(N)nc(N)nc2CC)cc1Br
InChIInChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)
InChIKeyHWVJYOCRGAJBRB-UHFFFAOYSA-N
MW416.12 g/mol
LogP3.79
Rot. Bonds4

About 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine

5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine (PubChem CID 10905790) has the molecular formula C14H16Br2N4O and a molecular weight of 416.12 g/mol. Its IUPAC name is 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine
PubChem CID10905790
Molecular FormulaC14H16Br2N4O
Molecular Weight416.12 g/mol
Exact Mass413.97
IUPAC Name5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine
SMILESCCOc1c(Br)cc(-c2c(N)nc(N)nc2CC)cc1Br
InChIInChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20)
InChIKeyHWVJYOCRGAJBRB-UHFFFAOYSA-N
XLogP3.79
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.12
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine (CID 10905790) is 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine is CCOc1c(Br)cc(-c2c(N)nc(N)nc2CC)cc1Br.
What is the InChIKey of 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine?
The InChIKey is HWVJYOCRGAJBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4O/c1-3-10-11(13(17)20-14(18)19-10)7-5-8(15)12(21-4-2)9(16)6-7/h5-6H,3-4H2,1-2H3,(H4,17,18,19,20).
What are the key properties of 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine?
5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine has a molecular weight of 416.12 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromo-4-ethoxyphenyl)-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 10905790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).