5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C10H11BrF3N3O — CID 106998855

IUPAC5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC(F)(F)F)C2CC2)ncc1Br
InChIInChI=1S/C10H11BrF3N3O/c1-18-8-7(11)4-15-9(16-8)17(6-2-3-6)5-10(12,13)14/h4,6H,2-3,5H2,1H3
InChIKeyKLCXCIUNUULTAV-UHFFFAOYSA-N
MW326.12 g/mol
LogP2.78
Rot. Bonds4

About 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 106998855) has the molecular formula C10H11BrF3N3O and a molecular weight of 326.12 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID106998855
Molecular FormulaC10H11BrF3N3O
Molecular Weight326.12 g/mol
Exact Mass325.00
IUPAC Name5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESCOc1nc(N(CC(F)(F)F)C2CC2)ncc1Br
InChIInChI=1S/C10H11BrF3N3O/c1-18-8-7(11)4-15-9(16-8)17(6-2-3-6)5-10(12,13)14/h4,6H,2-3,5H2,1H3
InChIKeyKLCXCIUNUULTAV-UHFFFAOYSA-N
XLogP2.78
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.12
LogP ≤ 52.78
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-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 106998855) is 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is COc1nc(N(CC(F)(F)F)C2CC2)ncc1Br.
What is the InChIKey of 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is KLCXCIUNUULTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF3N3O/c1-18-8-7(11)4-15-9(16-8)17(6-2-3-6)5-10(12,13)14/h4,6H,2-3,5H2,1H3.
What are the key properties of 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 326.12 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-4-methoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 106998855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).