5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

C7H6BrClF3N3 — CID 130908908

IUPAC5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Br)C(F)(F)F
InChIInChI=1S/C7H6BrClF3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15)
InChIKeyCZYHENYWXRPJMX-UHFFFAOYSA-N
MW304.50 g/mol
LogP3.26
Rot. Bonds2

About 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine

5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (PubChem CID 130908908) has the molecular formula C7H6BrClF3N3 and a molecular weight of 304.50 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
PubChem CID130908908
Molecular FormulaC7H6BrClF3N3
Molecular Weight304.50 g/mol
Exact Mass302.94
IUPAC Name5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine
SMILESCC(Nc1nc(Cl)ncc1Br)C(F)(F)F
InChIInChI=1S/C7H6BrClF3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15)
InChIKeyCZYHENYWXRPJMX-UHFFFAOYSA-N
XLogP3.26
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine (CID 130908908) is 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is CC(Nc1nc(Cl)ncc1Br)C(F)(F)F.
What is the InChIKey of 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
The InChIKey is CZYHENYWXRPJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF3N3/c1-3(7(10,11)12)14-5-4(8)2-13-6(9)15-5/h2-3H,1H3,(H,13,14,15).
What are the key properties of 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine has a molecular weight of 304.50 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 130908908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).