2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine

C11H10Br2N4O — CID 113394016

IUPAC2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ncc(Br)cc2Br)n1
InChIInChI=1S/C11H10Br2N4O/c1-18-5-7-3-9(14)17-11(16-7)10-8(13)2-6(12)4-15-10/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKeyWPXDFFZKUFWTMY-UHFFFAOYSA-N
MW374.04 g/mol
LogP2.79
Rot. Bonds3

About 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine

2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113394016) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
PubChem CID113394016
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1cc(N)nc(-c2ncc(Br)cc2Br)n1
InChIInChI=1S/C11H10Br2N4O/c1-18-5-7-3-9(14)17-11(16-7)10-8(13)2-6(12)4-15-10/h2-4H,5H2,1H3,(H2,14,16,17)
InChIKeyWPXDFFZKUFWTMY-UHFFFAOYSA-N
XLogP2.79
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine (CID 113394016) is 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine is COCc1cc(N)nc(-c2ncc(Br)cc2Br)n1.
What is the InChIKey of 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is WPXDFFZKUFWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-18-5-7-3-9(14)17-11(16-7)10-8(13)2-6(12)4-15-10/h2-4H,5H2,1H3,(H2,14,16,17).
What are the key properties of 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine?
2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 374.04 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromo-2-pyridinyl)-6-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113394016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).