5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine

C10H14BrN3O — CID 66319709

IUPAC5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-15-5-4-14(8-2-3-8)10-9(11)6-12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyHWHWOYTVBZCDDA-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.85
Rot. Bonds5

About 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine

5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 66319709) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID66319709
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCN(c1ncncc1Br)C1CC1
InChIInChI=1S/C10H14BrN3O/c1-15-5-4-14(8-2-3-8)10-9(11)6-12-7-13-10/h6-8H,2-5H2,1H3
InChIKeyHWHWOYTVBZCDDA-UHFFFAOYSA-N
XLogP1.85
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine (CID 66319709) is 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine is COCCN(c1ncncc1Br)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is HWHWOYTVBZCDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-15-5-4-14(8-2-3-8)10-9(11)6-12-7-13-10/h6-8H,2-5H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine?
5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 272.15 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 66319709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).