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

C7H10BrN3O2 — CID 45036931

IUPAC5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine
SMILESCOC(OC)c1nc(N)ncc1Br
InChIInChI=1S/C7H10BrN3O2/c1-12-6(13-2)5-4(8)3-10-7(9)11-5/h3,6H,1-2H3,(H2,9,10,11)
InChIKeyFOWBNVGRPWZIPG-UHFFFAOYSA-N
MW248.08 g/mol
LogP1.11
Rot. Bonds3

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

5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine (PubChem CID 45036931) has the molecular formula C7H10BrN3O2 and a molecular weight of 248.08 g/mol. Its IUPAC name is 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine
PubChem CID45036931
Molecular FormulaC7H10BrN3O2
Molecular Weight248.08 g/mol
Exact Mass247.00
IUPAC Name5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine
SMILESCOC(OC)c1nc(N)ncc1Br
InChIInChI=1S/C7H10BrN3O2/c1-12-6(13-2)5-4(8)3-10-7(9)11-5/h3,6H,1-2H3,(H2,9,10,11)
InChIKeyFOWBNVGRPWZIPG-UHFFFAOYSA-N
XLogP1.11
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine (CID 45036931) is 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine is COC(OC)c1nc(N)ncc1Br.
What is the InChIKey of 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine?
The InChIKey is FOWBNVGRPWZIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O2/c1-12-6(13-2)5-4(8)3-10-7(9)11-5/h3,6H,1-2H3,(H2,9,10,11).
What are the key properties of 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine?
5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine has a molecular weight of 248.08 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(dimethoxymethyl)pyrimidin-2-amine is sourced from PubChem (CID 45036931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).