5-bromo-4-(ethoxymethyl)pyrimidin-2-amine

C7H10BrN3O — CID 86058841

IUPAC5-bromo-4-(ethoxymethyl)pyrimidin-2-amine
SMILESCCOCc1nc(N)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-2-12-4-6-5(8)3-10-7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyWSECPKDCMOBWFA-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.36
Rot. Bonds3

About 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine

5-bromo-4-(ethoxymethyl)pyrimidin-2-amine (PubChem CID 86058841) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(ethoxymethyl)pyrimidin-2-amine
PubChem CID86058841
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name5-bromo-4-(ethoxymethyl)pyrimidin-2-amine
SMILESCCOCc1nc(N)ncc1Br
InChIInChI=1S/C7H10BrN3O/c1-2-12-4-6-5(8)3-10-7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11)
InChIKeyWSECPKDCMOBWFA-UHFFFAOYSA-N
XLogP1.36
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine (CID 86058841) is 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine is CCOCc1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine?
The InChIKey is WSECPKDCMOBWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-2-12-4-6-5(8)3-10-7(9)11-6/h3H,2,4H2,1H3,(H2,9,10,11).
What are the key properties of 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine?
5-bromo-4-(ethoxymethyl)pyrimidin-2-amine has a molecular weight of 232.08 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(ethoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 86058841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).